scikit-fingerprints/

ExpansionRx_OpenADMET_HLM_CLint

HLM CLint dataset from the ExpansionRx-OpenADMET Blind Challenge [1] [2]. It is intended to be used through scikit-fingerprints library. The task is to predict HLM CLint of molecules.

Characteristic Description

Tasks 1

Task type regression

Total samples 4541

Recommended split time

Recommended metric MAE

[1] OpenADMET team "Announcement 1: ExpansionRx-OpenADMET Blind Challenge"… See the full description on the dataset page: https://huggingface.co/datasets/scikit-fingerprints/ExpansionRx_OpenADMET_HLM_CLint.