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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...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2016
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5129033/ https://www.ncbi.nlm.nih.gov/pubmed/27669079 http://dx.doi.org/10.1021/acs.jcim.6b00338 |