Gimadiev Timur¶
Education:
Higher education (2004-209): Kazan Federal University, A.M. Butlerov Institute of Chemistry, Russian Federation
Master in Chemoinformatics (2012-2014): Kazan Federal University, A.M. Butlerov Institute of Chemistry, Russian Federation
Master in Chemoinformatics (2012-2014): University of Strasbourg, Faculty of Chemistry, France
PhD in Chemoinformatics (2014-2018): University of Strasbourg, Faculty of Chemistry, France
Experience:
2006 - 2012 : Assistant Researcher. Kazan Federal University, Russian Federation
2014 - present : Junior Researcher. Kazan Federal University, Russian Federation
2014 - 2018 : Doctoral resercher. University of Strasbourg, France
2015 - 2019 : Teaching Assistant. Kazan Federal University, Russian Federation
Expertise:
Data mining and processing
QSAR and other data modeling
Chemoinformatics
Synthesis
Structure analysis
Reactions mechanisms quantum-chemical studying
Achievments:
Participating in Grants of Russian Fundamental Research Fond (2007-2008), (2010-2012)
Russian-French Government Scholarship Program “Henri Poincare”(2013-2014) winner
French IDEX fellowship winner (2014-2018)
Participating in Grants of Russian Scientific Fond (2014 - 2018), (2019 - current)
Participating in Grant of Russian and Czech Scientific Funds for joint research (2018- 2020)
Projects:
Open-source chemoimnformatics toolkit CGRtools
Publications:
Gimadiev, T.R. Sydnone-alkyne cycloaddition: Which factors are responsible for reaction rate ? / T.R. Gimadiev, O. Klimchuk, R.I. Nugmanov, T.I. Madzhidov, A. Varnek // Journal of Molecular Structure. – 2019. – V. 1198. [doi] (cited By 0).
Nugmanov, R.I. CGRtools: Python Library for Molecule, Reaction, and Condensed Graph of Reaction Processing / R.I. Nugmanov, R.N. Mukhametgaleev, T. Akhmetshin, T.R. Gimadiev, V.A. Afonina, T.I. Madzhidov, A. Varnek // Journal of Chemical Information and Modeling. – 2019. – V. 59, Is. 6. – P. 2516–2521. [doi] (cited By 0).
Gimadiev, T. Bimolecular Nucleophilic Substitution Reactions: Predictive Models for Rate Constants and Molecular Reaction Pairs Analysis / T. Gimadiev, T. Madzhidov, I. Tetko, R. Nugmanov, I. Casciuc, O. Klimchuk, A. Bodrov, P. Polishchuk, I. Antipin, A. Varnek // Molecular Informatics. – 2019. – V. 38, Is. 4. [doi] (cited By 2).
Zankov, D.V. Conjugated Quantitative Structure-Property Relationship Models: Application to Simultaneous Prediction of Tautomeric Equilibrium Constants and Acidity of Molecules / D.V. Zankov, T.I. Madzhidov, A. Rakhimbekova, T.R. Gimadiev, R.I. Nugmanov, M.A. Kazymova, I.I. Baskin, A. Varnek // Journal of Chemical Information and Modeling. – 2019. [doi] (cited By 0).
Glavatskikh, M. Predictive Models for Kinetic Parameters of Cycloaddition Reactions / M. Glavatskikh, T. Madzhidov, D. Horvath, R. Nugmanov, T. Gimadiev, D. Malakhova, G. Marcou, A. Varnek // Molecular Informatics. – 2019. – V. 38, Is. 1. [doi] (cited By 2).
Glavatskikh, M. Visualization and Analysis of Complex Reaction Data: The Case of Tautomeric Equilibria / M. Glavatskikh, T. Madzhidov, I.I. Baskin, D. Horvath, R. Nugmanov, T. Gimadiev, G. Marcou, A. Varnek // Molecular Informatics. – 2018. – V. 37, Is. 9. [doi] (cited By 3).
Gimadiev, T.R. Assessment of tautomer distribution using the condensed reaction graph approach / T.R. Gimadiev, T.I. Madzhidov, R.I. Nugmanov, I.I. Baskin, I.S. Antipin, A. Varnek // Journal of Computer-Aided Molecular Design. – 2018. – V. 32, Is. 3. – P. 401–414. [doi] (cited By 4).
Polishchuk, P. Structure–reactivity modeling using mixture-based representation of chemical reactions / P. Polishchuk, T. Madzhidov, T. Gimadiev, A. Bodrov, R. Nugmanov, A. Varnek // Journal of Computer-Aided Molecular Design. – 2017. – V. 31, Is. 9. – P. 829–839. [doi] (cited By 7).
Madzhidov, T.I. Structure–reactivity relationship in Diels–Alder reactions obtained using the condensed reaction graph approach / T.I. Madzhidov, T.R. Gimadiev, D.A. Malakhova, R.I. Nugmanov, I.I. Baskin, I.S. Antipin, A.A. Varnek // Journal of Structural Chemistry. – 2017. – V. 58, Is. 4. – P. 650–656. [doi] (cited By 3).
Gimadiev, T.R. Generative Topographic Mapping Approach to Modeling and Chemical Space Visualization of Human Intestinal Transporters / T.R. Gimadiev, T.I. Madzhidov, G. Marcou, A. Varnek // BioNanoScience. – 2016. – V. 6, Is. 4. – P. 464–472. [doi] (cited By 3).
Madzhidov, T.I. Structure-reactivity relationship in bimolecular elimination reactions based on the condensed graph of a reaction / T.I. Madzhidov, A.V. Bodrov, T.R. Gimadiev, R.I. Nugmanov, I.S. Antipin, A.A. Varnek // Journal of Structural Chemistry. – 2015. – V. 56, Is. 7. – P. 1227–1234. [doi] (cited By 10).
Sokolov, F.D. New polynuclear complex of copper(I) with N-diethylthiophosphoryl-N′- isopropylthiourea / F.D. Sokolov, T.R. Gimadiev, L.N. Yamalieva, D.R. Chubukaeva, R.A. Cherkasov // Russian Journal of General Chemistry. – 2014. – V. 84, Is. 6. – P. 1253–1254. [doi] (cited By 0).
Gataulina, A.R. Complexes of podand-containing bis(dithiophosphonate) ligands with cobalt(II), nickel(II) and cadmium(II): Recognition of CH<inf>2</inf>Cl <inf>2</inf> / A.R. Gataulina, D.A. Safin, T.R. Gimadiev, M.V. Pinus // Transition Metal Chemistry. – 2008. – V. 33, Is. 7. – P. 921–924. [doi] (cited By 11).
Safin, D.A. Complexes of N-thiophosphorylthiourea (EtO)<inf>2</inf>P(O)CH<inf>2</inf>C<inf>6</inf>H<inf>4</inf>-4-[NHC(S)NHP(S)(OiPr)<inf>2</inf>] with Zn(II), Cd(II), Co(II) and Cu(PPh<inf>3</inf>)(I) / D.A. Safin, M.G. Babashkina, T.R. Gimadiev, M. Bolte, M.V. Pinus, D.B. Krivolapov, I.A. Litvinov // Polyhedron. – 2008. – V. 27, Is. 13. – P. 2978–2982. [doi] (cited By 15).
Safin, D.A. Nickel(II) complexes with N-(thio)phosphorylthioureas AdNHC(S)NHP(X)(OiPr)<inf>2</inf>: Versatile coordination of phosphoryl (X = O) and thiophosphoryl (X = S) derivatives / D.A. Safin, F.D. Sokolov, Ł. Szyrwiel, M.G. Babashkina, T.R. Gimadiev, F.E. Hahn, H. Kozlowski, D.B. Krivolapov, I.A. Litvinov // Polyhedron. – 2008. – V. 27, Is. 11. – P. 2271–2276. [doi] (cited By 26).
Safin, D.A. Studies on zinc(II) complexes with N-thioacylamidophosphates: X-ray crystal structure of the [Zn(RC(S)NP(O)(OiPr)<inf>2</inf>)<inf>2</inf>] (R = NH<inf>2</inf>, tBuNH, c-C<inf>6</inf>H<inf>11</inf>NH) / D.A. Safin, F.D. Sokolov, H. Nöth, M.G. Babashkina, T.R. Gimadiev, J. Galezowska, H. Kozlowski // Polyhedron. – 2008. – V. 27, Is. 8. – P. 2022–2028. [doi] (cited By 21).
Safin, D.A. Monodentate S-vs. bidentate 1,5-O,S-coordination of N-phosphoryl-N′-(R)-thioureas with Pd(II) / D.A. Safin, F.D. Sokolov, Ł. Szyrwiel, S.V. Baranov, M.G. Babashkina, T.R. Gimadiev, H. Kozlowski // Polyhedron. – 2008. – V. 27, Is. 8. – P. 1995–1998. [doi] (cited By 6).
Safin, D.A. Complexes of N-thiophosphorylthiourea tBuNHC(S)NHP(S)(OiPr)<inf>2</inf> with zinc(II), cadmium(II), nickel(II), and cobalt(II) cations / D.A. Safin, F.D. Sokolov, T.R. Gimadiev, V.V. Brusko, M.G. Babashkina, D.R. Chubukaeva, D.B. Krivolapov, I.A. Litvinov // Zeitschrift fur Anorganische und Allgemeine Chemie. – 2008. – V. 634, Is. 5. – P. 967–971. [doi] (cited By 29).