scikit-fingerprints/

Biogen_ADME_rPPB

Biogen_ADME_rPPB dataset from the Biogen ADME benchmark [1]. It is intended to be used through scikit-fingerprints library. The task is to predict log10 of rat plasma protein binding (% unbound) of molecules.

Characteristic Description

Tasks 1

Task type regression

Total samples 168

Recommended split time

Recommended metric MAE

[1] Fang, Cheng, et al. "Prospective Validation of Machine Learning Algorithms for Absorption… See the full description on the dataset page: https://huggingface.co/datasets/scikit-fingerprints/Biogen_ADME_rPPB.