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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...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2018
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| 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 |