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Ligand scaffold hopping combining 3D maximal substructure search and molecular similarity

BACKGROUND: Virtual screening methods are now well established as effective to identify hit and lead candidates and are fully integrated in most drug discovery programs. Ligand-based approaches make use of physico-chemical, structural and energetics properties of known active compounds to search lar...

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Библиографические подробности
Главные авторы: Quintus, Flavien, Sperandio, Olivier, Grynberg, Julien, Petitjean, Michel, Tuffery, Pierre
Формат: Artigo
Язык:Inglês
Опубликовано: BioMed Central 2009
Предметы:
Online-ссылка:https://ncbi.nlm.nih.gov/pmc/articles/PMC2739202/
https://ncbi.nlm.nih.gov/pubmed/19671127
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1471-2105-10-245
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