scikit-fingerprints/

ASAP_OpenADMET_LogD

ASAP_OpenADMET_LogD dataset from the ASAP Discovery-OpenADMET Antiviral Drug Discovery Challenge [1] [2] [3]. It is intended to be used through scikit-fingerprints library. The task is to predict LogD (distribution coefficient) of molecules.

Characteristic Description

Tasks 1

Task type regression

Total samples 478

Recommended split time Recommended metric MAE

[1] ASAP Discovery "ASAP Discovery x OpenADMET Antiviral Drug… See the full description on the dataset page: https://huggingface.co/datasets/scikit-fingerprints/ASAP_OpenADMET_LogD.