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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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Autors principals: Peironcely, Julio E, Rojas-Chertó, Miguel, Fichera, Davide, Reijmers, Theo, Coulier, Leon, Faulon, Jean-Loup, Hankemeier, Thomas
Format: Artigo
Idioma:Inglês
Publicat: BioMed Central 2012
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Accés en línia: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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