Prediction of the Blood-Brain Barrier (BBB) Permeability of Chemicals Based on Machine-Learning and Ensemble Methods

Liu, LL; Zhang, L; Feng, HW; Li, SM; Liu, M; Zhao, J; Liu, HS

Liu, HS (corresponding author), Liaoning Univ, Res Ctr Comp Simulating & Informat Proc Biomacrom, Shenyang 110036, Peoples R China.; Liu, HS (corresponding author), Technol Innovat Ctr Comp Simulating & Informat Pr, Shenyang 110036, Peoples R China.; Liu, HS (corresponding author), Liaoning Univ, Sch Pharm, Shenyang 110036, Peoples R China.

CHEMICAL RESEARCH IN TOXICOLOGY, 2021; 34 (6): 1456

Abstract

The ability of chemicals to enter the blood-brain barrier (BBB) is a key factor for central nervous system (CNS) drug development. Although many model......

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