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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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Detalhes bibliográficos
Main Authors: O'Boyle, Noel M, Morley, Chris, Hutchison, Geoffrey R
Formato: Artigo
Idioma:Inglês
Publicado em: BioMed Central 2008
Assuntos:
Acesso em linha: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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