scikit-fingerprints/ASAP_OpenADMET_MLM

ASAP-OpenADMET MLM ASAP_OpenADMET_MLM 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 MLM (mouse liver microsomal intrinsic clearance in uL/min/mg) of molecules. Characteristic Description Tasks 1 Task type regression Total samples 425 Recommended split time Recommended metric MAE References [1] ASAP Discovery… See the full description on the dataset page: https://huggingface.co/datasets/scikit-fingerprints/ASAP_OpenADMET_MLM.