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Prediction of pKa Values for Neutral and Basic Drugs based on Hybrid Artificial Intelligence Methods

The pKa value of drugs is an important parameter in drug design and pharmacology. In this paper, an improved particle swarm optimization (PSO) algorithm was proposed based on the population entropy diversity. In the improved algorithm, when the population entropy was higher than the set maximum thre...

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Detalles Bibliográficos
Autores principales: Li, Mengshan, Zhang, Huaijing, Chen, Bingsheng, Wu, Yan, Guan, Lixin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5838250/
https://www.ncbi.nlm.nih.gov/pubmed/29507318
http://dx.doi.org/10.1038/s41598-018-22332-7

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