Visualization and Analysis of Complex Reaction Data: The Case of Tautomeric Equilibria.
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| Title: | Visualization and Analysis of Complex Reaction Data: The Case of Tautomeric Equilibria. |
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| Authors: | Glavatskikh M; Laboratoire de Chémoinformatique, UMR 7140 CNRS, Université de Strasbourg, 1, rue Blaise Pascal, 67000, Strasbourg, France.; Laboratory of Chemoinformatics and Molecular Modeling, Butlerov Institut of Chemistry, Kazan Federal University, Kremlevskaya str. 18, Kazan, Russia., Madzhidov T; Laboratory of Chemoinformatics and Molecular Modeling, Butlerov Institut of Chemistry, Kazan Federal University, Kremlevskaya str. 18, Kazan, Russia., Baskin II; Laboratory of Chemoinformatics and Molecular Modeling, Butlerov Institut of Chemistry, Kazan Federal University, Kremlevskaya str. 18, Kazan, Russia.; Faculty of Physics, Lomonosov Moscow State University, Leninskie Gory 1/2, 119991, Moscow, Russia., Horvath D; Laboratoire de Chémoinformatique, UMR 7140 CNRS, Université de Strasbourg, 1, rue Blaise Pascal, 67000, Strasbourg, France., Nugmanov R; Laboratory of Chemoinformatics and Molecular Modeling, Butlerov Institut of Chemistry, Kazan Federal University, Kremlevskaya str. 18, Kazan, Russia., Gimadiev T; Laboratoire de Chémoinformatique, UMR 7140 CNRS, Université de Strasbourg, 1, rue Blaise Pascal, 67000, Strasbourg, France.; Laboratory of Chemoinformatics and Molecular Modeling, Butlerov Institut of Chemistry, Kazan Federal University, Kremlevskaya str. 18, Kazan, Russia., Marcou G; Laboratoire de Chémoinformatique, UMR 7140 CNRS, Université de Strasbourg, 1, rue Blaise Pascal, 67000, Strasbourg, France., Varnek A; Laboratoire de Chémoinformatique, UMR 7140 CNRS, Université de Strasbourg, 1, rue Blaise Pascal, 67000, Strasbourg, France. |
| Source: | Molecular informatics [Mol Inform] 2018 Sep; Vol. 37 (9-10), pp. e1800056. Date of Electronic Publication: 2018 Jul 24. |
| Publication Type: | Journal Article; Research Support, Non-U.S. Gov't |
| Journal Info: | Publisher: Wiley-VCH Verlag Country of Publication: Germany NLM ID: 101529315 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1868-1751 (Electronic) Linking ISSN: 18681743 NLM ISO Abbreviation: Mol Inform Subsets: MEDLINE |
| Database: | MEDLINE Ultimate |
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| ISSN: | 1868-1751 |
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| DOI: | 10.1002/minf.201800056 |
