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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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Detalles Bibliográficos
Autores principales:	Peironcely, Julio E, Rojas-Chertó, Miguel, Fichera, Davide, Reijmers, Theo, Coulier, Leon, Faulon, Jean-Loup, Hankemeier, Thomas
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	BioMed Central 2012
Materias:	Software
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3558358/ https://www.ncbi.nlm.nih.gov/pubmed/22985496 http://dx.doi.org/10.1186/1758-2946-4-21

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