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Open Babel: An open chemical toolbox

BACKGROUND: A frequent problem in computational modeling is the interconversion of chemical structures between different formats. While standard interchange formats exist (for example, Chemical Markup Language) and de facto standards have arisen (for example, SMILES format), the need to interconvert...

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Detalhes bibliográficos
Main Authors: O'Boyle, Noel M, Banck, Michael, James, Craig A, Morley, Chris, Vandermeersch, Tim, Hutchison, Geoffrey R
Formato: Artigo
Idioma:Inglês
Publicado em: BioMed Central 2011
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3198950/
https://ncbi.nlm.nih.gov/pubmed/21982300
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1758-2946-3-33
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