scikit-fingerprints/ExpansionRx_OpenADMET_Caco-2_Permeability_Efflux

ExpansionRx-OpenADMET Caco-2 Permeability Efflux Caco-2 Permeability Efflux dataset from the ExpansionRx-OpenADMET Blind Challenge [1] [2]. It is intended to be used through scikit-fingerprints library. The task is to predict Caco-2 Permeability Efflux of molecules. Characteristic Description Tasks 1 Task type regression Total samples 3777 Recommended split time Recommended metric MAE References [1] OpenADMET team "Announcement 1:… See the full description on the dataset page: https://huggingface.co/datasets/scikit-fingerprints/ExpansionRx_OpenADMET_Caco-2_Permeability_Efflux.