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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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Autores principales: Peironcely, Julio E, Rojas-Chertó, Miguel, Fichera, Davide, Reijmers, Theo, Coulier, Leon, Faulon, Jean-Loup, Hankemeier, Thomas
Formato: Artigo
Lenguaje:Inglês
Publicado: BioMed Central 2012
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Acceso en línea: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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