answer stringclasses 712
values | metadata dict | question stringlengths 1.57k 5.74k |
|---|---|---|
Answer: 5.43 | {
"assay_id": 1854066,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 1854066,
"endpoint_scope": "assay",
"label_a": 6.14,
"label_b": 5.43,
"label_type": "continuous",
"molecule_a_molregno": 2357405,
"molecule_b_molregno": ... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 5.7 | {
"assay_id": 221155,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 221155,
"endpoint_scope": "assay",
"label_a": 5.66,
"label_b": 5.7,
"label_type": "continuous",
"molecule_a_molregno": 173176,
"molecule_b_molregno": 1726... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 4.33 | {
"assay_id": 644244,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 644244,
"endpoint_scope": "assay",
"label_a": 5.08,
"label_b": 4.33,
"label_type": "continuous",
"molecule_a_molregno": 684532,
"molecule_b_molregno": 684... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 10.4 | {
"assay_id": 1641244,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 1641244,
"endpoint_scope": "assay",
"label_a": 10.1,
"label_b": 10.4,
"label_type": "continuous",
"molecule_a_molregno": 1947799,
"molecule_b_molregno": ... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: Ki
- Label type: continuous
- Binary semantics... |
Answer: 5.87 | {
"assay_id": 2198685,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 2198685,
"endpoint_scope": "assay",
"label_a": 5.76,
"label_b": 5.87,
"label_type": "continuous",
"molecule_a_molregno": 2771073,
"molecule_b_molregno": ... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 6.47 | {
"assay_id": 1898946,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 1898946,
"endpoint_scope": "assay",
"label_a": 6.94,
"label_b": 6.47,
"label_type": "continuous",
"molecule_a_molregno": 2346379,
"molecule_b_molregno": ... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: Ki
- Label type: continuous
- Binary semantics... |
Answer: 8.65 | {
"assay_id": 1901508,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 1901508,
"endpoint_scope": "assay",
"label_a": 9.64,
"label_b": 8.65,
"label_type": "continuous",
"molecule_a_molregno": 2341465,
"molecule_b_molregno": ... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: Ki
- Label type: continuous
- Binary semantics... |
Answer: 5.82 | {
"assay_id": 303816,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 303816,
"endpoint_scope": "assay",
"label_a": 5.62,
"label_b": 5.82,
"label_type": "continuous",
"molecule_a_molregno": 320133,
"molecule_b_molregno": 320... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: Ki
- Label type: continuous
- Binary semantics... |
Answer: 1 | {
"assay_id": 2200660,
"binary_semantics": "activity",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 2200660,
"endpoint_scope": "assay",
"label_a": 1,
"label_b": 1,
"label_type": "binary",
"molecule_a_molregno": 2742034,
"molecule_b_molregno": 360096,
... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: Inhibition
- Label type: binary
- Binary seman... |
Answer: 1 | {
"assay_id": 2154946,
"binary_semantics": "activity",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 2154946,
"endpoint_scope": "assay",
"label_a": 1,
"label_b": 1,
"label_type": "binary",
"molecule_a_molregno": 2731198,
"molecule_b_molregno": 2726557,
... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: Inhibition
- Label type: binary
- Binary seman... |
Answer: 8.7 | {
"assay_id": 349,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 349,
"endpoint_scope": "assay",
"label_a": 7.85,
"label_b": 8.7,
"label_type": "continuous",
"molecule_a_molregno": 66835,
"molecule_b_molregno": 66834,
"s... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 4.79 | {
"assay_id": 1449676,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 1449676,
"endpoint_scope": "assay",
"label_a": 5.28,
"label_b": 4.79,
"label_type": "continuous",
"molecule_a_molregno": 1782251,
"molecule_b_molregno": ... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 4.47 | {
"assay_id": 1504783,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 1504783,
"endpoint_scope": "assay",
"label_a": 4.8,
"label_b": 4.47,
"label_type": "continuous",
"molecule_a_molregno": 1952918,
"molecule_b_molregno": 1... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: Ki
- Label type: continuous
- Binary semantics... |
Answer: 5.02 | {
"assay_id": null,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 50286,
"endpoint_scope": "target",
"label_a": 4.38,
"label_b": 5.02,
"label_type": "continuous",
"molecule_a_molregno": 2907635,
"molecule_b_molregno": 2908... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: target
- Measurement type: IC50
- Label type: continuous
- Binary semant... |
Answer: 0 | {
"assay_id": 480415,
"binary_semantics": "activity",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 480415,
"endpoint_scope": "assay",
"label_a": 0,
"label_b": 0,
"label_type": "binary",
"molecule_a_molregno": 483340,
"molecule_b_molregno": 483039,
"s... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: Activity
- Label type: binary
- Binary semanti... |
Answer: 6.92 | {
"assay_id": null,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 188,
"endpoint_scope": "target",
"label_a": 8.33,
"label_b": 6.92,
"label_type": "continuous",
"molecule_a_molregno": 1817518,
"molecule_b_molregno": 649637... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: target
- Measurement type: AC50
- Label type: continuous
- Binary semant... |
Answer: 1 | {
"assay_id": null,
"binary_semantics": "activity",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 118061,
"endpoint_scope": "target",
"label_a": 1,
"label_b": 1,
"label_type": "binary",
"molecule_a_molregno": 2772538,
"molecule_b_molregno": 2260965,
"... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: target
- Measurement type: Activity
- Label type: binary
- Binary semant... |
Answer: 4.95 | {
"assay_id": 970665,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 970665,
"endpoint_scope": "assay",
"label_a": 4.85,
"label_b": 4.95,
"label_type": "continuous",
"molecule_a_molregno": 1591709,
"molecule_b_molregno": 15... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 8.89 | {
"assay_id": 197874,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 197874,
"endpoint_scope": "assay",
"label_a": 6.11,
"label_b": 8.89,
"label_type": "continuous",
"molecule_a_molregno": 35351,
"molecule_b_molregno": 3587... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 6.2 | {
"assay_id": 1548772,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 1548772,
"endpoint_scope": "assay",
"label_a": 5.21,
"label_b": 6.2,
"label_type": "continuous",
"molecule_a_molregno": 2060014,
"molecule_b_molregno": 4... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 0 | {
"assay_id": 2058453,
"binary_semantics": "activity",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 2058453,
"endpoint_scope": "assay",
"label_a": 0,
"label_b": 0,
"label_type": "binary",
"molecule_a_molregno": 2525638,
"molecule_b_molregno": 2492869,
... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: Activity
- Label type: binary
- Binary semanti... |
Answer: 5.13 | {
"assay_id": 1510261,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 1510261,
"endpoint_scope": "assay",
"label_a": 5.24,
"label_b": 5.13,
"label_type": "continuous",
"molecule_a_molregno": 1958073,
"molecule_b_molregno": ... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 4.77 | {
"assay_id": 620187,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 620187,
"endpoint_scope": "assay",
"label_a": 6.66,
"label_b": 4.77,
"label_type": "continuous",
"molecule_a_molregno": 616993,
"molecule_b_molregno": 616... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 6.1 | {
"assay_id": 1723813,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 1723813,
"endpoint_scope": "assay",
"label_a": 5.21,
"label_b": 6.1,
"label_type": "continuous",
"molecule_a_molregno": 2268386,
"molecule_b_molregno": 2... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 0 | {
"assay_id": null,
"binary_semantics": "activity",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 101949,
"endpoint_scope": "target",
"label_a": 0,
"label_b": 0,
"label_type": "binary",
"molecule_a_molregno": 1475308,
"molecule_b_molregno": 1475307,
"... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: target
- Measurement type: mortality
- Label type: binary
- Binary seman... |
Answer: 9.33 | {
"assay_id": 214378,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 214378,
"endpoint_scope": "assay",
"label_a": 8.11,
"label_b": 9.33,
"label_type": "continuous",
"molecule_a_molregno": 131118,
"molecule_b_molregno": 131... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 5.26 | {
"assay_id": 198968,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 198968,
"endpoint_scope": "assay",
"label_a": 5.35,
"label_b": 5.26,
"label_type": "continuous",
"molecule_a_molregno": 149448,
"molecule_b_molregno": 149... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 1 | {
"assay_id": 2230357,
"binary_semantics": "toxic",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 2230357,
"endpoint_scope": "assay",
"label_a": 1,
"label_b": 1,
"label_type": "binary",
"molecule_a_molregno": 2765512,
"molecule_b_molregno": 2772544,
"... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: Activity
- Label type: binary
- Binary semanti... |
Answer: 5.33 | {
"assay_id": 2449130,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 2449130,
"endpoint_scope": "assay",
"label_a": 5.33,
"label_b": 5.33,
"label_type": "continuous",
"molecule_a_molregno": 2925957,
"molecule_b_molregno": ... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 5.47 | {
"assay_id": 627828,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 627828,
"endpoint_scope": "assay",
"label_a": 6.1,
"label_b": 5.47,
"label_type": "continuous",
"molecule_a_molregno": 624257,
"molecule_b_molregno": 6242... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: Kd
- Label type: continuous
- Binary semantics... |
Answer: 6.19 | {
"assay_id": 35095,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 35095,
"endpoint_scope": "assay",
"label_a": 6.5,
"label_b": 6.19,
"label_type": "continuous",
"molecule_a_molregno": 272341,
"molecule_b_molregno": 272268... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 7.51 | {
"assay_id": 772771,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 772771,
"endpoint_scope": "assay",
"label_a": 7.95,
"label_b": 7.51,
"label_type": "continuous",
"molecule_a_molregno": 450392,
"molecule_b_molregno": 117... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 6.21 | {
"assay_id": 774292,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 774292,
"endpoint_scope": "assay",
"label_a": 5.92,
"label_b": 6.21,
"label_type": "continuous",
"molecule_a_molregno": 2856578,
"molecule_b_molregno": 11... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: Kd
- Label type: continuous
- Binary semantics... |
Answer: 0 | {
"assay_id": 2264797,
"binary_semantics": "activity",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 2264797,
"endpoint_scope": "assay",
"label_a": 1,
"label_b": 0,
"label_type": "binary",
"molecule_a_molregno": 2801596,
"molecule_b_molregno": 2789309,
... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: Activity
- Label type: binary
- Binary semanti... |
Answer: 5.21 | {
"assay_id": 812486,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 812486,
"endpoint_scope": "assay",
"label_a": 5.06,
"label_b": 5.21,
"label_type": "continuous",
"molecule_a_molregno": 1332578,
"molecule_b_molregno": 13... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 0 | {
"assay_id": 1832048,
"binary_semantics": "toxic",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 1832048,
"endpoint_scope": "assay",
"label_a": 1,
"label_b": 0,
"label_type": "binary",
"molecule_a_molregno": 2437063,
"molecule_b_molregno": 2429032,
"... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: Activity
- Label type: binary
- Binary semanti... |
Answer: 5.05 | {
"assay_id": 2113720,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 2113720,
"endpoint_scope": "assay",
"label_a": 4.92,
"label_b": 5.05,
"label_type": "continuous",
"molecule_a_molregno": 2567707,
"molecule_b_molregno": ... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 6.92 | {
"assay_id": 620386,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 620386,
"endpoint_scope": "assay",
"label_a": 6.21,
"label_b": 6.92,
"label_type": "continuous",
"molecule_a_molregno": 618219,
"molecule_b_molregno": 451... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 8.77 | {
"assay_id": 2452428,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 2452428,
"endpoint_scope": "assay",
"label_a": 8.24,
"label_b": 8.77,
"label_type": "continuous",
"molecule_a_molregno": 650600,
"molecule_b_molregno": 1... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 7.22 | {
"assay_id": 963720,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 963720,
"endpoint_scope": "assay",
"label_a": 7.3,
"label_b": 7.22,
"label_type": "continuous",
"molecule_a_molregno": 1566729,
"molecule_b_molregno": 156... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 4.74 | {
"assay_id": 910132,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 910132,
"endpoint_scope": "assay",
"label_a": 5.56,
"label_b": 4.74,
"label_type": "continuous",
"molecule_a_molregno": 1480639,
"molecule_b_molregno": 14... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 5.68 | {
"assay_id": 1451528,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 1451528,
"endpoint_scope": "assay",
"label_a": 5.68,
"label_b": 5.68,
"label_type": "continuous",
"molecule_a_molregno": 1617070,
"molecule_b_molregno": ... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 0 | {
"assay_id": 1627961,
"binary_semantics": "toxic",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 1627961,
"endpoint_scope": "assay",
"label_a": 0,
"label_b": 0,
"label_type": "binary",
"molecule_a_molregno": 2100740,
"molecule_b_molregno": 2152821,
"... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: Activity
- Label type: binary
- Binary semanti... |
Answer: 0 | {
"assay_id": 2064584,
"binary_semantics": "activity",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 2064584,
"endpoint_scope": "assay",
"label_a": 0,
"label_b": 0,
"label_type": "binary",
"molecule_a_molregno": 2493975,
"molecule_b_molregno": 2501460,
... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: Activity
- Label type: binary
- Binary semanti... |
Answer: 0 | {
"assay_id": 1561629,
"binary_semantics": "activity",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 1561629,
"endpoint_scope": "assay",
"label_a": 0,
"label_b": 0,
"label_type": "binary",
"molecule_a_molregno": 2073258,
"molecule_b_molregno": 2073379,
... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: Activity
- Label type: binary
- Binary semanti... |
Answer: 7.08 | {
"assay_id": 2210997,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 2210997,
"endpoint_scope": "assay",
"label_a": 7.09,
"label_b": 7.08,
"label_type": "continuous",
"molecule_a_molregno": 2774898,
"molecule_b_molregno": ... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 6.71 | {
"assay_id": 2200840,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 2200840,
"endpoint_scope": "assay",
"label_a": 6.87,
"label_b": 6.71,
"label_type": "continuous",
"molecule_a_molregno": 1982996,
"molecule_b_molregno": ... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 8.05 | {
"assay_id": 1450299,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 1450299,
"endpoint_scope": "assay",
"label_a": 8.05,
"label_b": 8.05,
"label_type": "continuous",
"molecule_a_molregno": 1426353,
"molecule_b_molregno": ... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 0 | {
"assay_id": 1692899,
"binary_semantics": "activity",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 1692899,
"endpoint_scope": "assay",
"label_a": 1,
"label_b": 0,
"label_type": "binary",
"molecule_a_molregno": 1448178,
"molecule_b_molregno": 317955,
... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: Inhibition
- Label type: binary
- Binary seman... |
Answer: 0 | {
"assay_id": null,
"binary_semantics": "activity",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 13000,
"endpoint_scope": "target",
"label_a": 0,
"label_b": 0,
"label_type": "binary",
"molecule_a_molregno": 2251674,
"molecule_b_molregno": 2129642,
"s... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: target
- Measurement type: % Enzyme Activity (relative to DMSO controls,... |
Answer: 8.7 | {
"assay_id": 1528884,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 1528884,
"endpoint_scope": "assay",
"label_a": 7.16,
"label_b": 8.7,
"label_type": "continuous",
"molecule_a_molregno": 2034427,
"molecule_b_molregno": 2... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 5.14 | {
"assay_id": 35731,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 35731,
"endpoint_scope": "assay",
"label_a": 5.06,
"label_b": 5.14,
"label_type": "continuous",
"molecule_a_molregno": 222483,
"molecule_b_molregno": 22251... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 6 | {
"assay_id": 2356951,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 2356951,
"endpoint_scope": "assay",
"label_a": 5.54,
"label_b": 6,
"label_type": "continuous",
"molecule_a_molregno": 2860685,
"molecule_b_molregno": 287... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 6.16 | {
"assay_id": 1453015,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 1453015,
"endpoint_scope": "assay",
"label_a": 6.05,
"label_b": 6.16,
"label_type": "continuous",
"molecule_a_molregno": 1783021,
"molecule_b_molregno": ... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 7.42 | {
"assay_id": 1527956,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 1527956,
"endpoint_scope": "assay",
"label_a": 8.74,
"label_b": 7.42,
"label_type": "continuous",
"molecule_a_molregno": 1973432,
"molecule_b_molregno": ... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: Ki
- Label type: continuous
- Binary semantics... |
Answer: 0 | {
"assay_id": 527225,
"binary_semantics": "activity",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 527225,
"endpoint_scope": "assay",
"label_a": 0,
"label_b": 0,
"label_type": "binary",
"molecule_a_molregno": 510572,
"molecule_b_molregno": 443338,
"s... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: Activity
- Label type: binary
- Binary semanti... |
Answer: 6.33 | {
"assay_id": 774569,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 774569,
"endpoint_scope": "assay",
"label_a": 7.46,
"label_b": 6.33,
"label_type": "continuous",
"molecule_a_molregno": 714243,
"molecule_b_molregno": 447... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: Kd
- Label type: continuous
- Binary semantics... |
Answer: 5.78 | {
"assay_id": 2054089,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 2054089,
"endpoint_scope": "assay",
"label_a": 6.28,
"label_b": 5.78,
"label_type": "continuous",
"molecule_a_molregno": 2495202,
"molecule_b_molregno": ... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 6.3 | {
"assay_id": 1883520,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 1883520,
"endpoint_scope": "assay",
"label_a": 5.77,
"label_b": 6.3,
"label_type": "continuous",
"molecule_a_molregno": 2431728,
"molecule_b_molregno": 2... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 0 | {
"assay_id": 459379,
"binary_semantics": "activity",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 459379,
"endpoint_scope": "assay",
"label_a": 0,
"label_b": 0,
"label_type": "binary",
"molecule_a_molregno": 421217,
"molecule_b_molregno": 421220,
"s... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: Activity
- Label type: binary
- Binary semanti... |
Answer: 4.5 | {
"assay_id": 789477,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 789477,
"endpoint_scope": "assay",
"label_a": 4.45,
"label_b": 4.5,
"label_type": "continuous",
"molecule_a_molregno": 1266109,
"molecule_b_molregno": 126... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 5.54 | {
"assay_id": 158194,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 158194,
"endpoint_scope": "assay",
"label_a": 4.93,
"label_b": 5.54,
"label_type": "continuous",
"molecule_a_molregno": 105530,
"molecule_b_molregno": 105... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 1 | {
"assay_id": 1499452,
"binary_semantics": "activity",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 1499452,
"endpoint_scope": "assay",
"label_a": 1,
"label_b": 1,
"label_type": "binary",
"molecule_a_molregno": 1947267,
"molecule_b_molregno": 1947260,
... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: Inhibition
- Label type: binary
- Binary seman... |
Answer: 7.36 | {
"assay_id": 1622711,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 1622711,
"endpoint_scope": "assay",
"label_a": 6.715,
"label_b": 7.36,
"label_type": "continuous",
"molecule_a_molregno": 2173554,
"molecule_b_molregno":... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 5.62 | {
"assay_id": 1842900,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 1842900,
"endpoint_scope": "assay",
"label_a": 5.62,
"label_b": 5.62,
"label_type": "continuous",
"molecule_a_molregno": 2360777,
"molecule_b_molregno": ... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 6.59 | {
"assay_id": 1336018,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 1336018,
"endpoint_scope": "assay",
"label_a": 6.47,
"label_b": 6.59,
"label_type": "continuous",
"molecule_a_molregno": 1735981,
"molecule_b_molregno": ... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: EC50
- Label type: continuous
- Binary semanti... |
Answer: 7.42 | {
"assay_id": 813865,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 813865,
"endpoint_scope": "assay",
"label_a": 7.46,
"label_b": 7.42,
"label_type": "continuous",
"molecule_a_molregno": 1273791,
"molecule_b_molregno": 13... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: EC50
- Label type: continuous
- Binary semanti... |
Answer: 5.68 | {
"assay_id": 1453154,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 1453154,
"endpoint_scope": "assay",
"label_a": 5.96,
"label_b": 5.68,
"label_type": "continuous",
"molecule_a_molregno": 1788467,
"molecule_b_molregno": ... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: Ki
- Label type: continuous
- Binary semantics... |
Answer: 5.44 | {
"assay_id": 461740,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 461740,
"endpoint_scope": "assay",
"label_a": 5.48,
"label_b": 5.44,
"label_type": "continuous",
"molecule_a_molregno": 423073,
"molecule_b_molregno": 423... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 9.11 | {
"assay_id": 1278476,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 1278476,
"endpoint_scope": "assay",
"label_a": 9.17,
"label_b": 9.11,
"label_type": "continuous",
"molecule_a_molregno": 663629,
"molecule_b_molregno": 5... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: Kd
- Label type: continuous
- Binary semantics... |
Answer: 4.77 | {
"assay_id": 1677288,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 1677288,
"endpoint_scope": "assay",
"label_a": 4.35,
"label_b": 4.77,
"label_type": "continuous",
"molecule_a_molregno": 2218676,
"molecule_b_molregno": ... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: EC50
- Label type: continuous
- Binary semanti... |
Answer: 0 | {
"assay_id": 725455,
"binary_semantics": "activity",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 725455,
"endpoint_scope": "assay",
"label_a": 0,
"label_b": 0,
"label_type": "binary",
"molecule_a_molregno": 4941,
"molecule_b_molregno": 374005,
"sam... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: MIC
- Label type: binary
- Binary semantics: a... |
Answer: 6.46 | {
"assay_id": 523796,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 523796,
"endpoint_scope": "assay",
"label_a": 6.41,
"label_b": 6.46,
"label_type": "continuous",
"molecule_a_molregno": 501667,
"molecule_b_molregno": 501... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 9.44 | {
"assay_id": 2288,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 2288,
"endpoint_scope": "assay",
"label_a": 9.52,
"label_b": 9.44,
"label_type": "continuous",
"molecule_a_molregno": 101048,
"molecule_b_molregno": 120674,... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: Ki
- Label type: continuous
- Binary semantics... |
Answer: 9.19 | {
"assay_id": 99862,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 99862,
"endpoint_scope": "assay",
"label_a": 8.85,
"label_b": 9.19,
"label_type": "continuous",
"molecule_a_molregno": 137752,
"molecule_b_molregno": 13796... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 0 | {
"assay_id": 1450745,
"binary_semantics": "activity",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 1450745,
"endpoint_scope": "assay",
"label_a": 0,
"label_b": 0,
"label_type": "binary",
"molecule_a_molregno": 614862,
"molecule_b_molregno": 1786566,
... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: MIC
- Label type: binary
- Binary semantics: a... |
Answer: 5.09 | {
"assay_id": 2574995,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 2574995,
"endpoint_scope": "assay",
"label_a": 4.65,
"label_b": 5.09,
"label_type": "continuous",
"molecule_a_molregno": 2092651,
"molecule_b_molregno": ... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 5.57 | {
"assay_id": 616488,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 616488,
"endpoint_scope": "assay",
"label_a": 5.57,
"label_b": 5.57,
"label_type": "continuous",
"molecule_a_molregno": 614713,
"molecule_b_molregno": 614... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 7.46 | {
"assay_id": 1995839,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 1995839,
"endpoint_scope": "assay",
"label_a": 7.53,
"label_b": 7.46,
"label_type": "continuous",
"molecule_a_molregno": 2469379,
"molecule_b_molregno": ... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 1 | {
"assay_id": 1502514,
"binary_semantics": "activity",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 1502514,
"endpoint_scope": "assay",
"label_a": 1,
"label_b": 1,
"label_type": "binary",
"molecule_a_molregno": 337856,
"molecule_b_molregno": 85506,
"... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: Activity
- Label type: binary
- Binary semanti... |
Answer: 4.82 | {
"assay_id": null,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 117151,
"endpoint_scope": "target",
"label_a": 4.82,
"label_b": 4.82,
"label_type": "continuous",
"molecule_a_molregno": 430386,
"molecule_b_molregno": 1050... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: target
- Measurement type: IC50
- Label type: continuous
- Binary semant... |
Answer: 0 | {
"assay_id": null,
"binary_semantics": "activity",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 103966,
"endpoint_scope": "target",
"label_a": 0,
"label_b": 0,
"label_type": "binary",
"molecule_a_molregno": 806120,
"molecule_b_molregno": 674547,
"sa... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: target
- Measurement type: EC50
- Label type: binary
- Binary semantics:... |
Answer: 4.38 | {
"assay_id": 1641609,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 1641609,
"endpoint_scope": "assay",
"label_a": 4.96,
"label_b": 4.38,
"label_type": "continuous",
"molecule_a_molregno": 2143233,
"molecule_b_molregno": ... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 1 | {
"assay_id": 1638425,
"binary_semantics": "activity",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 1638425,
"endpoint_scope": "assay",
"label_a": 1,
"label_b": 1,
"label_type": "binary",
"molecule_a_molregno": 2160707,
"molecule_b_molregno": 2150080,
... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: Inhibition
- Label type: binary
- Binary seman... |
Answer: 0 | {
"assay_id": 2061679,
"binary_semantics": "activity",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 2061679,
"endpoint_scope": "assay",
"label_a": 0,
"label_b": 0,
"label_type": "binary",
"molecule_a_molregno": 2499309,
"molecule_b_molregno": 2500311,
... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: Activity
- Label type: binary
- Binary semanti... |
Answer: 6.14 | {
"assay_id": 960761,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 960761,
"endpoint_scope": "assay",
"label_a": 6.17,
"label_b": 6.14,
"label_type": "continuous",
"molecule_a_molregno": 1561899,
"molecule_b_molregno": 15... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 6 | {
"assay_id": 633996,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 633996,
"endpoint_scope": "assay",
"label_a": 6.22,
"label_b": 6,
"label_type": "continuous",
"molecule_a_molregno": 632247,
"molecule_b_molregno": 632060... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: EC50
- Label type: continuous
- Binary semanti... |
Answer: 1 | {
"assay_id": 581647,
"binary_semantics": "activity",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 581647,
"endpoint_scope": "assay",
"label_a": 1,
"label_b": 1,
"label_type": "binary",
"molecule_a_molregno": 567981,
"molecule_b_molregno": 562655,
"s... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: Activity
- Label type: binary
- Binary semanti... |
Answer: 5.03 | {
"assay_id": 1666902,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 1666902,
"endpoint_scope": "assay",
"label_a": 5.66,
"label_b": 5.03,
"label_type": "continuous",
"molecule_a_molregno": 712090,
"molecule_b_molregno": 2... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 5.06 | {
"assay_id": 985387,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 985387,
"endpoint_scope": "assay",
"label_a": 4.06,
"label_b": 5.06,
"label_type": "continuous",
"molecule_a_molregno": 1582557,
"molecule_b_molregno": 15... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 1 | {
"assay_id": 424791,
"binary_semantics": "activity",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 424791,
"endpoint_scope": "assay",
"label_a": 1,
"label_b": 1,
"label_type": "binary",
"molecule_a_molregno": 130007,
"molecule_b_molregno": 145199,
"s... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: Activity
- Label type: binary
- Binary semanti... |
Answer: 4.85 | {
"assay_id": 1730955,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 1730955,
"endpoint_scope": "assay",
"label_a": 5.83,
"label_b": 4.85,
"label_type": "continuous",
"molecule_a_molregno": 2272401,
"molecule_b_molregno": ... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 6.06 | {
"assay_id": 1365239,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 1365239,
"endpoint_scope": "assay",
"label_a": 5.62,
"label_b": 6.06,
"label_type": "continuous",
"molecule_a_molregno": 1275274,
"molecule_b_molregno": ... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: Ki
- Label type: continuous
- Binary semantics... |
Answer: 7.66 | {
"assay_id": 2135401,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 2135401,
"endpoint_scope": "assay",
"label_a": 8.05,
"label_b": 7.66,
"label_type": "continuous",
"molecule_a_molregno": 2555609,
"molecule_b_molregno": ... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 5.49 | {
"assay_id": 2298874,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 2298874,
"endpoint_scope": "assay",
"label_a": 5.25,
"label_b": 5.49,
"label_type": "continuous",
"molecule_a_molregno": 2800565,
"molecule_b_molregno": ... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 6.08 | {
"assay_id": 577019,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 577019,
"endpoint_scope": "assay",
"label_a": 6.41,
"label_b": 6.08,
"label_type": "continuous",
"molecule_a_molregno": 560049,
"molecule_b_molregno": 423... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 1 | {
"assay_id": 2373584,
"binary_semantics": "activity",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 2373584,
"endpoint_scope": "assay",
"label_a": 1,
"label_b": 1,
"label_type": "binary",
"molecule_a_molregno": 2873720,
"molecule_b_molregno": 2835670,
... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: Activity
- Label type: binary
- Binary semanti... |
Answer: 6.77 | {
"assay_id": 2375958,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 2375958,
"endpoint_scope": "assay",
"label_a": 9,
"label_b": 6.77,
"label_type": "continuous",
"molecule_a_molregno": 1782648,
"molecule_b_molregno": 286... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: EC50
- Label type: continuous
- Binary semanti... |
Answer: 4.48 | {
"assay_id": 1340156,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 1340156,
"endpoint_scope": "assay",
"label_a": 6.3,
"label_b": 4.48,
"label_type": "continuous",
"molecule_a_molregno": 372805,
"molecule_b_molregno": 17... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
Answer: 7.64 | {
"assay_id": 2591900,
"binary_semantics": "pchembl",
"candidate_source_assay_id": null,
"direction": "molecule_a_to_molecule_b",
"endpoint_id": 2591900,
"endpoint_scope": "assay",
"label_a": 8.15,
"label_b": 7.640000000000001,
"label_type": "continuous",
"molecule_a_molregno": 2145773,
"molecule_... | You are given a reference molecule with ChEMBL endpoint evidence and a query molecule with only structure-derived properties. Predict the query molecule's clean label for the same assay or target endpoint.
## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: IC50
- Label type: continuous
- Binary semanti... |
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