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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Detalles Bibliográficos
Autores principales: Quintus, Flavien, Sperandio, Olivier, Grynberg, Julien, Petitjean, Michel, Tuffery, Pierre
Formato: Texto
Lenguaje:English
Publicado: BioMed Central 2009
Materias:
Methodology Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2739202/
https://www.ncbi.nlm.nih.gov/pubmed/19671127
http://dx.doi.org/10.1186/1471-2105-10-245

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2739202/
https://www.ncbi.nlm.nih.gov/pubmed/19671127
http://dx.doi.org/10.1186/1471-2105-10-245

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