scikit-fingerprints/Biogen_ADME_RLM_CLint
Biogen ADME RLM CLint Biogen_ADME_RLM_CLint 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 liver microsomal intrinsic clearance (RLM CLint, in mL/min/kg) of molecules. Characteristic Description Tasks 1 Task type regression Total samples 3054 Recommended split time Recommended metric MAE References [1] Fang, Cheng, et al. "Prospective Validation… See the full description on the dataset page: https://huggingface.co/datasets/scikit-fingerprints/Biogen_ADME_RLM_CLint.
Biogen ADME RLM CLint
BiogenADMERLM_CLint dataset from the Biogen ADME benchmark [[1]](#1). It is intended to be used through scikit-fingerprints library.
The task is to predict log10 of rat liver microsomal intrinsic clearance (RLM CLint, in mL/min/kg) of molecules.
References
<a id="1">[1]</a> Fang, Cheng, et al. "Prospective Validation of Machine Learning Algorithms for Absorption, Distribution, Metabolism, and Excretion Prediction: An Industrial Perspective" J. Chem. Inf. Model. 2023, 63, 11, 3263-3274 https://doi.org/10.1021/acs.jcim.3c00160