2022
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Timur Gimadiev, Ramil Nugmanov, Aigul Khakimova, Adeliya Fatykhova, Timur Madzhidov, Pavel Sidorov, Alexandre Varnek (2021). CGRdb2.0: A Python Database Management System for Molecules, Reactions, and Chemical Data. Journal of Chemical Information and Modeling.
- Timur Gimadiev, Ramil Nugmanov, Aigul Khakimova, Adeliya Fatykhova, Timur Madzhidov, Pavel Sidorov, Alexandre Varnek (2021). CGRdb2.0: A Python Database Management System for Molecules, Reactions, and Chemical Data. Journal of Chemical Information and Modeling. https://doi.org/10.1021/acs.jcim.1c01105
2021
2020
2019
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Zankov D.V, Madzhidov T.I, Rakhimbekova A, Conjugated Quantitative Structure-Property Relationship Models: Application to Simultaneous Prediction of Tautomeric Equilibrium Constants and Acidity of Molecules//Journal of Chemical Information and Modeling. - 2019. - Vol. 59, Is. 11. - 4569-4576
- Zankov D.V. Conjugated Quantitative Structure-Property Relationship Models: Application to Simultaneous Prediction of Tautomeric Equilibrium Constants and Acidity of Molecules/ Zankov D.V, Madzhidov T.I, Rakhimbekova A, Gimadiev T.R., Nugmanov R.I., Kazymova M.A., Baskin I.I., Varnek A.//Journal of Chemical Information and Modeling. - 2019. - Vol. 59, Is. 11. - pp. 4569-4576.
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Gimadiev T.R, Klimchuk O, Nugmanov R.I, Sydnone-alkyne cycloaddition: Which factors are responsible for reaction rate ?//Journal of Molecular Structure. - 2019. - Vol.1198 - Art. № 126897.
2018
- Assessment of tautomer distribution using the condensed reaction graph approach / T. Gimadiev, T. Madzhidov, R. Nugmanov, I.I. Baskin, I.S. Antipin, A. Varnek // Journal of Computer-Aided Molecular Design.? 2018.? P.1-14
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Lin A, Horvath D, Afonina V, Mapping of the Available Chemical Space versus the Chemical Universe of Lead-Like Compounds//ChemMedChem. - 2018. - Vol. 13, Is. 6. - P. 540-554.
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Gimadiev T.R, Madzhidov T.I, Nugmanov R.I, Assessment of tautomer distribution using the condensed reaction graph approach//Journal of Computer-Aided Molecular Design. - 2018. - Vol.32, Is.3. - P.401-414.
2017
- T.I. Madzhidov, T.R. Gimadiev, D.A. Malakhova, R.I. Nugmanov, I.I. Baskin, I.S. Antipin, and .A. Varnek. Structure-Reactivity modeling for Dielas-alder reactions based on the condensed REACTION graph approach.Journal of Structural Chemistry,2017, Vol.58, No 4,p. 685-691
- 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.? P.1-11
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Madzhidov, T. Handling of Markush Structures / T.I. Madzhidov, R.I. Nugmanov, A. Varnek //Tutorials in Chemoinformatics. - Hoboken: John Wiley & Sons, 2017 - p. 67-73
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Polishchuk P, Madzhidov T, Gimadiev T, Structure?reactivity modeling using mixture-based representation of chemical reactions//Journal of Computer-Aided Molecular Design. - 2017. - Vol.31, Is.9. - P.829-839.
- Baskin Igor I., Madzhidov Timur I., Antipin Igor S., Artificial intelligence in synthetic chemistry: achievements and prospects//RUSSIAN CHEMICAL REVIEWS. - 2017. - Vol.86, Is.11. - P.1127-1156.
- Madzhidov T. I., Gimadiev T. R., Malakhova D. A., STRUCTURE-REACTIVITY RELATIONSHIP IN DIELS-ALDER REACTIONS OBTAINED USING THE CONDENSED REACTION GRAPH APPROACH//JOURNAL OF STRUCTURAL CHEMISTRY. - 2017. - Vol.58, Is.4. - P.650-656.
2016
2015
2014
- Нугманов, Р.И. Разработка моделей «структура-свойство» в реакциях нуклеофильного замещения с участием азидов / Р.И. Нугманов, Т.И. Маджидов, Г.Р. Халиуллина, И.И. Баскин, И.С. Антипин, А.А. Варнек - Журнал структурной химии. – 2014. – Т. 55, Вып. 6. – C. 1080–1087
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T. I. Madzhidov, P. G. Polishchuk, R. I. Nugmanov, A. V. Bodrov, A. I. Lin, I. I. Baskin, A. A. Varnek, I. S. Antipin. Structure–Reactivity Relationships in Terms of the Condensed Graphs of Reactions // Russian Journal of Organic Chemistry – 2014. - V.50, No. 4 - p. 459–463.
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Nugmanov R.I. Development of "structure-property" models in nucleophilic substitution reactions involving azides / Nugmanov, R.I., Madzhidov, T.I. , Khaliullina, G.R., Baskin, I.I., Antipin, I.S., Varnek, A.A. // Journal of Structural Chemistry. - 2014. - V. 55. - Is. 6. - Pp. 1026-1033.
2013
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