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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Detalles Bibliográficos
Publicado en: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: Frontiers Media S.A. 2018
Assuntos:
Chemistry
Acceso en liña: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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