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Consistency of systematic chemical identifiers within and between small-molecule databases
BACKGROUND: Correctness of structures and associated metadata within public and commercial chemical databases greatly impacts drug discovery research activities such as quantitative structure–property relationships modelling and compound novelty checking. MOL files, SMILES notations, IUPAC names, an...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
BioMed Central
2012
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3539895/ https://ncbi.nlm.nih.gov/pubmed/23237381 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1758-2946-4-35 |
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