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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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| Asıl Yazarlar: | , |
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| Materyal Türü: | Artigo |
| Dil: | Inglês |
| Baskı/Yayın Bilgisi: |
BioMed Central
2008
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| Konular: | |
| Online Erişim: | 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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