Sachem: a chemical cartridge for high-performance substructure search

BACKGROUND: Structure search is one of the valuable capabilities of small-molecule databases. Fingerprint-based screening methods are usually employed to enhance the search performance by reducing the number of calls to the verification procedure. In substructure search, fingerprints are designed to...

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Detalles Bibliográficos
Autores principales: Kratochvíl, Miroslav, Vondrášek, Jiří, Galgonek, Jakub
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2018
Materias:
Software
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5966370/
https://www.ncbi.nlm.nih.gov/pubmed/29797000
http://dx.doi.org/10.1186/s13321-018-0282-y

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5966370/
https://www.ncbi.nlm.nih.gov/pubmed/29797000
http://dx.doi.org/10.1186/s13321-018-0282-y

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