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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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| Publicado no: | J Cheminform |
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| Autor principal: | |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Springer International Publishing
2017
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5462667/ https://ncbi.nlm.nih.gov/pubmed/29086048 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-017-0225-z |
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