scikit-fingerprints/

ASAP_OpenADMET_pIC50_MERS-CoV

ASAP_OpenADMET_pIC50_MERS-CoV 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 MERS-CoV.

Characteristic Description

Tasks 1

Task type regression

Total samples 1198

Recommended split time

Recommended metric MAE

[1] ASAP Discovery "ASAP Discovery x OpenADMET… See the full description on the dataset page: https://huggingface.co/datasets/scikit-fingerprints/ASAP_OpenADMET_pIC50_MERS-CoV.