Fast 3D shape screening of large chemical databases through alignment-recycling

BACKGROUND: Large chemical databases require fast, efficient, and simple ways of looking for similar structures. Although such tasks are now fairly well resolved for graph-based similarity queries, they remain an issue for 3D approaches, particularly for those based on 3D shape overlays. Inspired by...

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Detalles Bibliográficos
Autores principales: Fontaine, Fabien, Bolton, Evan, Borodina, Yulia, Bryant, Stephen H
Formato: Texto
Lenguaje:English
Publicado: BioMed Central 2007
Materias:
Methodology
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1994057/
https://www.ncbi.nlm.nih.gov/pubmed/17880744
http://dx.doi.org/10.1186/1752-153X-1-12

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1994057/
https://www.ncbi.nlm.nih.gov/pubmed/17880744
http://dx.doi.org/10.1186/1752-153X-1-12

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