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A linear combination of pharmacophore hypotheses as a new tool in search of new active compounds--an application for 5-HT1A receptor ligands.

This study explores a new approach to pharmacophore screening involving the use of an optimized linear combination of models instead of a single hypothesis. The implementation and evaluation of the developed methodology are performed for a complete known chemical space of 5-HT1AR ligands (3616 activ...

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Hlavní autoři: Dawid Warszycki, Stefan Mordalski, Kurt Kristiansen, Rafał Kafel, Ingebrigt Sylte, Zdzisław Chilmonczyk, Andrzej J Bojarski
Médium: Artigo
Jazyk:Inglês
Vydáno: Public Library of Science (PLoS) 2013-01-01
Edice:PLoS ONE
On-line přístup:http://europepmc.org/articles/PMC3867515?pdf=render
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