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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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Библиографические подробности
Опубликовано в: :Front Chem
Главные авторы: Pogodin, Pavel V., Lagunin, Alexey A., Rudik, Anastasia V., Filimonov, Dmitry A., Druzhilovskiy, Dmitry S., Nicklaus, Mark C., Poroikov, Vladimir V.
Формат: Artigo
Язык:Inglês
Опубликовано: Frontiers Media S.A. 2018
Предметы:
Online-ссылка: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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