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Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit

BACKGROUND: Scripting languages such as Python are ideally suited to common programming tasks in cheminformatics such as data analysis and parsing information from files. However, for reasons of efficiency, cheminformatics toolkits such as the OpenBabel toolkit are often implemented in compiled lang...

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Autori principali: O'Boyle, Noel M, Morley, Chris, Hutchison, Geoffrey R
Natura: Artigo
Lingua:Inglês
Pubblicazione: BioMed Central 2008
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC2270842/
https://ncbi.nlm.nih.gov/pubmed/18328109
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1752-153X-2-5
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