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OMG: Open Molecule Generator

Computer Assisted Structure Elucidation has been used for decades to discover the chemical structure of unknown compounds. In this work we introduce the first open source structure generator, Open Molecule Generator (OMG), which for a given elemental composition produces all non-isomorphic chemical...

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Detalhes bibliográficos
Main Authors: Peironcely, Julio E, Rojas-Chertó, Miguel, Fichera, Davide, Reijmers, Theo, Coulier, Leon, Faulon, Jean-Loup, Hankemeier, Thomas
Formato: Artigo
Idioma:Inglês
Publicado em: BioMed Central 2012
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3558358/
https://ncbi.nlm.nih.gov/pubmed/22985496
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1758-2946-4-21
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