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Ligand-Based Virtual Screening Using Bayesian Networks

✍ Scribed by Abdo, Ammar; Chen, Beining; Mueller, Christoph; Salim, Naomie; Willett, Peter

Book ID: 121854130
Publisher: American Chemical Society
Year: 2010
Tongue: English
Weight: 284 KB
Volume: 50
Category: Article
ISSN: 0095-2338
DOI: 10.1021/ci100090p

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## Abstract Ligand‐based virtual screening (VS) techniques have become well established in the drug discovery process. However, despite their relative success, there still exists the problem of how to define the initial query compounds and which of their conformations should be used. Here, we propo