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An algorithm to identify functional groups in organic molecules
BACKGROUND: The concept of functional groups forms a basis of organic chemistry, medicinal chemistry, toxicity assessment, spectroscopy and also chemical nomenclature. All current software systems to identify functional groups are based on a predefined list of substructures. We are not aware of any...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Springer International Publishing
2017
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5462667/ https://www.ncbi.nlm.nih.gov/pubmed/29086048 http://dx.doi.org/10.1186/s13321-017-0225-z |