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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...

Deskribapen osoa

Gorde:
Xehetasun bibliografikoak
Egile Nagusiak: Fontaine, Fabien, Bolton, Evan, Borodina, Yulia, Bryant, Stephen H
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: BioMed Central 2007
Gaiak:
Sarrera elektronikoa:https://ncbi.nlm.nih.gov/pmc/articles/PMC1994057/
https://ncbi.nlm.nih.gov/pubmed/17880744
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1752-153X-1-12
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