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Target enhanced 2D similarity search by using explicit biological activity annotations and profiles

BACKGROUND: The enriched biological activity information of compounds in large and freely-accessible chemical databases like the PubChem Bioassay Database has become a powerful research resource for the scientific research community. Currently, 2D fingerprint based conventional similarity search (CS...

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Detalles Bibliográficos
Autores principales: Yu, Xiang, Geer, Lewis Y., Han, Lianyi, Bryant, Stephen H.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4648974/
https://www.ncbi.nlm.nih.gov/pubmed/26583046
http://dx.doi.org/10.1186/s13321-015-0103-5