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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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| Udgivet i: | J Chem Inf Model |
|---|---|
| Main Authors: | , , , , , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
American Chemical
Society
2016
|
| Online adgang: | 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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