scikit-fingerprints/

ExpansionRx_OpenADMET_Caco-2_Permeability_Papp_AB

Caco-2 Permeability Papp A>B 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 Papp A>B of molecules.

Characteristic Description

Tasks 1

Task type regression

Total samples 3773

Recommended split time

Recommended metric MAE

[1] OpenADMET team "Announcement 1:… See the full description on the dataset page: https://huggingface.co/datasets/scikit-fingerprints/ExpansionRx_OpenADMET_Caco-2_Permeability_Papp_AB.