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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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Detalhes bibliográficos
Main Authors: O'Boyle, Noel M, Hutchison, Geoffrey R
Formato: Artigo
Idioma:Inglês
Publicado em: BioMed Central 2008
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2646723/
https://ncbi.nlm.nih.gov/pubmed/19055766
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1752-153X-2-24
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