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

Author:

Liu Lili1ORCID,Zhang Li123ORCID,Feng Huawei1,Li Shimeng1,Liu Miao1,Zhao Jian1,Liu Hongsheng234ORCID

Affiliation:

1. School of Life Science, Liaoning University, Shenyang 110036, China

2. Research Center for Computer Simulating and Information Processing of Bio-macromolecules of Shenyang, Liaoning University, Shenyang 110036, China

3. Technology Innovation Center for Computer Simulating and Information Processing of Bio-macromolecules of Shenyang, Shenyang 110036, China

4. School of Pharmacy, Liaoning University, Shenyang 110036, China

Funder

Department of Education of Liaoning Province

Liaoning University

Shenyang Science and Technology Bureau

Liaoning Province

Engineering Laboratory for Molecular Simulation and Designing of Drug Molecules of Liaoning Province

Important Scientific and Technical Achievements Transformation Project

Publisher

American Chemical Society (ACS)

Subject

Toxicology,General Medicine

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