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Selective Inhibitor Design for Kinase Homologs Using Multiobjective Monte Carlo Tree Search
[Image: see text] Designing highly selective molecules for a drug target protein is a challenging task in drug discovery. This task can be regarded as a multiobjective problem that simultaneously satisfies criteria for various objectives, such as selectivity for a target protein, pharmacokinetic end...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9709912/ https://www.ncbi.nlm.nih.gov/pubmed/36334094 http://dx.doi.org/10.1021/acs.jcim.2c00787 |