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Combining spatial and chemical information for clustering pharmacophores

BACKGROUND: A pharmacophore model consists of a group of chemical features arranged in three-dimensional space that can be used to represent the biological activities of the described molecules. Clustering of molecular interactions of ligands on the basis of their pharmacophore similarity provides a...

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Detalles Bibliográficos
Autores principales: Zhou, Lingxiao, Griffith, Renate, Gaeta, Bruno
Formato: Online Artículo Texto
Lenguaje:English
Publicado: BioMed Central 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4290656/
https://www.ncbi.nlm.nih.gov/pubmed/25521061
http://dx.doi.org/10.1186/1471-2105-15-S16-S5