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A tree-based method for the rapid screening of chemical fingerprints

BACKGROUND: The fingerprint of a molecule is a bitstring based on its structure, constructed such that structurally similar molecules will have similar fingerprints. Molecular fingerprints can be used in an initial phase of drug development for identifying novel drug candidates by screening large da...

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Detalles Bibliográficos
Autores principales:	Kristensen, Thomas G, Nielsen, Jesper, Pedersen, Christian NS
Formato:	Texto
Lenguaje:	English
Publicado:	BioMed Central 2010
Materias:	Research
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2830925/ https://www.ncbi.nlm.nih.gov/pubmed/20047665 http://dx.doi.org/10.1186/1748-7188-5-9

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