Molecular Optimization Based on a Monte Carlo Tree Search and Multiobjective Genetic Algorithm

In the realm of medicinal chemistry, the predominant challenge in molecular design lies in managing extensive molecular data sets and effectively screening for, as well as preserving, molecules with potential value. Traditional methodologies typically utilize deep learning models or genetic algorith...

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Bibliographic Details

Published in:	Journal of chemical information and modeling Vol. 65; no. 12; p. 5973
Main Authors:	Zhang, Chong, Dai, Cai, Lei, Xiujuan
Format:	Journal Article
Language:	English
Published:	United States 23.06.2025
Subjects:	Algorithms Drug Design Drug Discovery Genetic Algorithms Monte Carlo Method
ISSN:	1549-960X, 1549-960X
Online Access:	Get more information
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