scikit-fingerprints/ASAP_OpenADMET_pIC50_SARS-CoV-2

ASAP-OpenADMET pIC50 SARS-CoV-2 ASAP_OpenADMET_pIC50_SARS-CoV-2 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 pIC50 of molecules against SARS-CoV-2. Characteristic Description Tasks 1 Task type regression Total samples 1105 Recommended split time Recommended metric MAE References [1] ASAP Discovery "ASAP… See the full description on the dataset page: https://huggingface.co/datasets/scikit-fingerprints/ASAP_OpenADMET_pIC50_SARS-CoV-2.