scikit-fingerprints/ExpansionRx_OpenADMET_HLM_CLint

ExpansionRx-OpenADMET HLM CLint HLM CLint dataset from the ExpansionRx-OpenADMET Blind Challenge [1] [2]. It is intended to be used through scikit-fingerprints library. The task is to predict HLM CLint of molecules. Characteristic Description Tasks 1 Task type regression Total samples 4541 Recommended split time Recommended metric MAE References [1] OpenADMET team "Announcement 1: ExpansionRx-OpenADMET Blind Challenge"… See the full description on the dataset page: https://huggingface.co/datasets/scikit-fingerprints/ExpansionRx_OpenADMET_HLM_CLint.