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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Vydáno v:Front Chem
Hlavní autoři: Pogodin, Pavel V., Lagunin, Alexey A., Rudik, Anastasia V., Filimonov, Dmitry A., Druzhilovskiy, Dmitry S., Nicklaus, Mark C., Poroikov, Vladimir V.
Médium: Artigo
Jazyk:Inglês
Vydáno: Frontiers Media S.A. 2018
Témata:
Chemistry
On-line přístup: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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