scikit-fingerprints/

Biogen_ADME_Solubility

Biogen_ADME_Solubility dataset from the Biogen ADME benchmark [1]. It is intended to be used through scikit-fingerprints library. The task is to predict log10 of aqueous solubility at pH 6.8 (in ug/mL) of molecules.

Characteristic Description

Tasks 1

Task type regression

Total samples 2173

Recommended split time

Recommended metric MAE

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