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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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| Главные авторы: | , , |
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| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
BioMed Central
2012
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| Предметы: | |
| Online-ссылка: | 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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