metadata
license: cc-by-4.0
task_categories:
- tabular-regression
- graph-ml
- text-classification
tags:
- chemistry
- biology
- medical
pretty_name: ExpansionRx-OpenADMET RLM CLint
size_categories:
- n<1K
configs:
- config_name: default
data_files:
- split: train
path: rlm_clint.csv
ExpansionRx-OpenADMET RLM CLint
RLM CLint (rat liver microsomal intrinsic clearance) dataset from the ExpansionRx-OpenADMET Blind Challenge [1] [2]. It is intended to be used through scikit-fingerprints library.
The task is to predict the rat liver microsomal intrinsic clearance (RLM CLint) of molecules.
Note that this dataset was not part of the original challenge. It was provided by the organizers afterward as an additional endpoint.
| Characteristic | Description |
|---|---|
| Tasks | 1 |
| Task type | regression |
| Total samples | 633 |
| Recommended split | time |
| Recommended metric | MAE |
References
[1] OpenADMET team "Announcement 1: ExpansionRx-OpenADMET Blind Challenge" https://openadmet.ghost.io/expansionrx-openadmet-blind-challenge/
[2] HuggingFace Hub - ExpansionRx-OpenADMET challenge full dataset https://huggingface.co/datasets/openadmet/openadmet-expansionrx-challenge-data