How to Achieve Better Results Using PASS-Based Virtual Screening: Case Study for Kinase Inhibitors

Discovery of new pharmaceutical substances is currently boosted by the possibility of utilization of the Synthetically Accessible Virtual Inventory (SAVI) library, which includes about 283 million molecules, each annotated with a proposed synthetic one-step route from commercially available starting...

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Detalhes bibliográficos
Publicado no:Front Chem
Main Authors: Pogodin, Pavel V., Lagunin, Alexey A., Rudik, Anastasia V., Filimonov, Dmitry A., Druzhilovskiy, Dmitry S., Nicklaus, Mark C., Poroikov, Vladimir V.
Formato: Artigo
Idioma:Inglês
Publicado em: Frontiers Media S.A. 2018
Assuntos:
Chemistry
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5935003/
https://ncbi.nlm.nih.gov/pubmed/29755970
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3389/fchem.2018.00133
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