scikit-fingerprints/TDC_cyp1a2_veith

CYP P450 1A2 Inhibition, Veith et al. CYP P450 1A2 Inhibition dataset by Veith et al., part of TDC [2] benchmark. It is intended to be used through scikit-fingerprints library. The task is to predict the binding results for a set of inhibitors of CYP1A2 enzyme, part of cytochromes P450 family. Characteristic Description Tasks 1 Task type classification Total samples 12579 Recommended split scaffold Recommended metric AUROC References [1]… See the full description on the dataset page: https://huggingface.co/datasets/scikit-fingerprints/TDC_cyp1a2_veith.