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Application of kernel functions for accurate similarity search in large chemical databases

BACKGROUND: Similaritysearch in chemical structure databases is an important problem with many applications in chemical genomics, drug design, and efficient chemical probe screening among others. It is widely believed that structure based methods provide an efficient way to do the query. Recently va...

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Main Authors: Wang, Xiaohong, Huan, Jun, Smalter, Aaron, Lushington, Gerald H
Formato: Artigo
Idioma:Inglês
Publicado: BioMed Central 2010
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Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC2863067/
https://ncbi.nlm.nih.gov/pubmed/20438655
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1471-2105-11-S3-S8
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