DeCAF—Discrimination, Comparison, Alignment Tool for 2D PHarmacophores

Comparison of small molecules is a common component of many cheminformatics workflows, including the design of new compounds and libraries as well as side-effect predictions and drug repurposing. Currently, large-scale comparison methods rely mostly on simple fingerprint representation of molecules,...

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Detalles Bibliográficos
Autores principales: Stepniewska-Dziubinska, Marta M., Zielenkiewicz, Piotr, Siedlecki, Pawel
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2017
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6152008/
https://www.ncbi.nlm.nih.gov/pubmed/28684712
http://dx.doi.org/10.3390/molecules22071128

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6152008/
https://www.ncbi.nlm.nih.gov/pubmed/28684712
http://dx.doi.org/10.3390/molecules22071128

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