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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...
| Autores principales: | , |
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| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
BioMed Central
2008
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| 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 |