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

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...

Full description

Bibliographic Details
Main Authors: Pavel V. Pogodin, Alexey A. Lagunin, Anastasia V. Rudik, Dmitry A. Filimonov, Dmitry S. Druzhilovskiy, Mark C. Nicklaus, Vladimir V. Poroikov
Format: Article
Language:English
Published: Frontiers Media S.A. 2018-04-01
Series:Frontiers in Chemistry
Subjects:
ChEMBL
bioactivity data
kinase inhibitors
SAR
PASS
virtual screening
Online Access:http://journal.frontiersin.org/article/10.3389/fchem.2018.00133/full

Internet

http://journal.frontiersin.org/article/10.3389/fchem.2018.00133/full

Similar Items