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Structure–reactivity relationship in Diels–Alder reactions obtained using the condensed reaction graph approach

Autor: Madzhidov T., Gimadiev T., Malakhova D., Nugmanov R., Baskin I., Antipin I., Varnek A.

Publikováno v: SCOPUS00224766-2017-58-4-SID85029603209

© 2017, Pleiades Publishing, Ltd. By the structural representation of a chemical reaction in the form of a condensed graph a model allowing the prediction of rate constants (logk) of Diels–Alder reactions performed in different solvents and at dif

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::050533ae0343d686f8518b6bc61bbe1d
https://openrepository.ru/article?id=237863

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Predictive Models for Kinetic Parameters of Cycloaddition Reactions.

Autor: 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 Institute of Chemistry, Kazan Federal University, Kremlyovskaya str. 18, Kazan, Russia., Madzhidov T; Laboratory of Chemoinformatics and Molecular Modeling, Butlerov Institute of Chemistry, Kazan Federal University, Kremlyovskaya str. 18, Kazan, 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 Institute of Chemistry, Kazan Federal University, Kremlyovskaya 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 Institute of Chemistry, Kazan Federal University, Kremlyovskaya str. 18, Kazan, Russia., Malakhova D; Laboratory of Chemoinformatics and Molecular Modeling, Butlerov Institute of Chemistry, Kazan Federal University, Kremlyovskaya 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.

Publikováno v: Molecular informatics [Mol Inform] 2019 Jan; Vol. 38 (1-2), pp. e1800077. Date of Electronic Publication: 2018 Aug 22.

Super-resolved 3-D imaging of live cells' organelles from bright-field photon transmission micrographs.

Autor: Rychtáriková R; Institute of Complex Systems, Faculty of Fisheries and Protection of Waters, University of South Bohemia, Zámek 136, 373 33 Nové Hrady, Czech Republic. Electronic address: rrychtarikova@frov.jcu.cz., Náhlík T; Institute of Complex Systems, Faculty of Fisheries and Protection of Waters, University of South Bohemia, Zámek 136, 373 33 Nové Hrady, Czech Republic., Shi K; Princeton University, Princeton, New Jersey 08544, USA., Malakhova D; Institute of Complex Systems, Faculty of Fisheries and Protection of Waters, University of South Bohemia, Zámek 136, 373 33 Nové Hrady, Czech Republic., Macháček P; Institute of Complex Systems, Faculty of Fisheries and Protection of Waters, University of South Bohemia, Zámek 136, 373 33 Nové Hrady, Czech Republic., Smaha R; Department of Chemistry, Stanford University, Stanford, California 94305, USA., Urban J; Institute of Complex Systems, Faculty of Fisheries and Protection of Waters, University of South Bohemia, Zámek 136, 373 33 Nové Hrady, Czech Republic., Štys D; Institute of Complex Systems, Faculty of Fisheries and Protection of Waters, University of South Bohemia, Zámek 136, 373 33 Nové Hrady, Czech Republic.

Publikováno v: Ultramicroscopy [Ultramicroscopy] 2017 Aug; Vol. 179, pp. 1-14. Date of Electronic Publication: 2017 Mar 18.