Cinfony – combining Open Source cheminformatics toolkits behind a common interface

BACKGROUND: Open Source cheminformatics toolkits such as OpenBabel, the CDK and the RDKit share the same core functionality but support different sets of file formats and forcefields, and calculate different fingerprints and descriptors. Despite their complementary features, using these toolkits in...

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Detalles Bibliográficos
Autores principales: O'Boyle, Noel M, Hutchison, Geoffrey R
Formato: Texto
Lenguaje:English
Publicado: BioMed Central 2008
Materias:
Software
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2646723/
https://www.ncbi.nlm.nih.gov/pubmed/19055766
http://dx.doi.org/10.1186/1752-153X-2-24

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2646723/
https://www.ncbi.nlm.nih.gov/pubmed/19055766
http://dx.doi.org/10.1186/1752-153X-2-24

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