scikit-fingerprints/TDC_carcinogens_lagunin

TDC Carcinogens Lagunin Carcinogens Lagunin dataset dataset [1] [2], part of TDC [3] benchmark. It is intended to be used through scikit-fingerprints library. The task is to predict whether the drug is a carcinogen. Characteristic Description Tasks 1 Task type classification Total samples 280 Recommended split scaffold Recommended metric AUROC References [1] Lagunin, Alexey, et al. Computer-Aided Prediction of Rodent Carcinogenicity by… See the full description on the dataset page: https://huggingface.co/datasets/scikit-fingerprints/TDC_carcinogens_lagunin.