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license: cc-by-4.0
task_categories:
- tabular-regression
- graph-ml
- text-classification
tags:
- chemistry
- biology
- medical
pretty_name: ExpansionRx-OpenADMET LogD
size_categories:
- 1K<n<10K
configs:
- config_name: default
data_files:
- split: train
path: "logd.csv"
---
# ExpansionRx-OpenADMET LogD
LogD dataset from the ExpansionRx-OpenADMET Blind Challenge [[1]](#1) [[2]](#2). It is intended to be used through
[scikit-fingerprints](https://github.com/scikit-fingerprints/scikit-fingerprints) library.
The task is to predict LogD of molecules.
| **Characteristic** | **Description** |
|:------------------:|:-----------------:|
| Tasks | 1 |
| Task type | regression |
| Total samples | 7309 |
| Recommended split | time |
| Recommended metric | MAE |
## References
<a id="1">[1]</a>
OpenADMET team
"Announcement 1: ExpansionRx-OpenADMET Blind Challenge"
https://openadmet.ghost.io/expansionrx-openadmet-blind-challenge/
<a id="2">[2]</a>
HuggingFace Hub - ExpansionRx-OpenADMET challenge full dataset
https://huggingface.co/datasets/openadmet/openadmet-expansionrx-challenge-data
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