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...

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Detalles Bibliográficos
Autores principales: Yoshizawa, Tatsuya, Ishida, Shoichi, Sato, Tomohiro, Ohta, Masateru, Honma, Teruki, Terayama, Kei
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
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

Internet

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

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