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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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Détails bibliographiques
Auteurs principaux: Peironcely, Julio E, Rojas-Chertó, Miguel, Fichera, Davide, Reijmers, Theo, Coulier, Leon, Faulon, Jean-Loup, Hankemeier, Thomas
Format: Artigo
Langue:Inglês
Publié: BioMed Central 2012
Sujets:
Accès en ligne: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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