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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...
Autores principales: | Kratochvíl, Miroslav, Vondrášek, Jiří, Galgonek, Jakub |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Springer International Publishing
2018
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Materias: | |
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 |
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