scikit-fingerprints/

ASAP_OpenADMET_HLM

ASAP_OpenADMET_HLM 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 HLM (human liver microsomal intrinsic clearance in uL/min/mg) of molecules.

Characteristic Description

Tasks 1

Task type regression

Total samples 407

Recommended splittime

Recommended metric MAE

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