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Experimental and Chemoinformatics Study of Tautomerism in a Database of Commercially Available Screening Samples
[Image: see text] We investigated how many cases of the same chemical sold as different products (at possibly different prices) occurred in a prototypical large aggregated database and simultaneously tested the tautomerism definitions in the chemoinformatics toolkit CACTVS. We applied the standard C...
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| Опубликовано в: : | J Chem Inf Model |
|---|---|
| Главные авторы: | , , , , , |
| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
American Chemical
Society
2016
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| Online-ссылка: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5129033/ https://ncbi.nlm.nih.gov/pubmed/27669079 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.6b00338 |
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