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
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Rakhimbekova, A. Cross-validation strategies in QSPR modelling of chemical reactions / A. Rakhimbekova, T.N. Akhmetshin, G.I. Minibaeva, R.I. Nugmanov, T.R. Gimadiev, T.I. Madzhidov, I.I. Baskin, A. Varnek // SAR and QSAR in Environmental Research -2021.-32(3)-pp.207-219. doi: 10.1080/1062936X.2021.1883107.
- Fatykhova A.A., Nougmanov R.I., Mukhametgaleev R.N., Madzhidov T.I. , Varnek A. Prediction of synthesis path of chemical compound and its analogues. XII International Conference on Chemistry for Young Scientists "Mendeleev 2021" - Book of Abstracts (St Petersburg, September 06-10, 2021). - St Petersburg, 2021. - P. 125. (ISBN 978-5-9651-1364-4).
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Rakhimbekova, A. Cross-validation strategies in QSPR modelling of chemical reactions / A. Rakhimbekova, T.N. Akhmetshin, G.I. Minibaeva, R.I. Nugmanov, T.R. Gimadiev, T.I. Madzhidov, I.I. Baskin, A. Varnek // SAR and QSAR in Environmental Research -2021.-32(3)-pp.207-219. doi: 10.1080/1062936X.2021.1883107
2020
2019
- Nugmanov Ramil, Gimadiev Timur, Mukhametgaleev Ravil, Prediction of bioisosteric substitutions using the Condensed Reaction Graph approach//EUROPEAN JOURNAL OF CLINICAL INVESTIGATION. - 2019. - Vol.49, Is.. - P.116-116.
- Rakhimbekova A. Search of optimal approaches for defining applicability domain of models for predicting properties of chemical reactions/ Rakhimbekova A., Nugmanov R.I., Gimadiev T.R., Madzhidov T.I., Varnek A. // Book of abstracts Markovnikov Congress on Organic Chemistry 21-28 June 2019, Moscow-Kazan, Russia. - 2019. - P. 187
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Nugmanov R.I, Mukhametgaleev R.N, Akhmetshin T, CGRtools: Python Library for Molecule, Reaction, and Condensed Graph of Reaction Processing//Journal of Chemical Information and Modeling. - 2019. - Vol. 59, Is. 6. - 2516-2521.
- Afonina, V.A. Extended Interactive Greene's Reactivity Charts / V.A. Afonina, S.I. Musaeva, R.I. Nugmanov, T.I. Madzhidov, A. Varnek // XI International Conference on Chemistry for Young Scientists “Mendeleev 2019”: Book of abstracts. – Saint Petersburg, 2019. – P. 382.
- 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.
- Nugmanov Ramil, Miftahutdinov Zulfat, Tutubalina Elena, Addressing medical coding of free-text clinical records in English with deep learning//EUROPEAN JOURNAL OF CLINICAL INVESTIGATION. - 2019. - Vol.49, Is.. - P.117-117.
- Nugmanov Ramil, Alimova Ilseyar, Tutubalina Elena, Adverse drug reactions identification in social media posts and electronic health records with neural networks//EUROPEAN JOURNAL OF CLINICAL INVESTIGATION. - 2019. - Vol.49, Is.. - P.116-117.
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Fatykhova A. CGR-DB cartridge in chemical synthesis planning / A. Fatykhova, R. Nugmanov, T. Madzhidov, A. Varnek // Markovnikov Congress on Organic Chemistry (June 201-28): book of abstracts, 2019. - P 147.
F_mc150cgrdb.pdf -
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
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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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.
- Afonina, V.A. Reaction conditions prediction by artificial neural networks / V.A. Afonina, A. Delova, R.I. Nugmanov, T.I. Madzhidov, O. Klimchuk, A. Varnek // Third International School-Seminar «From Empirical to Predictive Chemistry« (Kazan, 5-7 April 2018): book of abstracts. - Kazan: Kazan Federal University, 2018. - P. 31.
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Fatykhova A. Automated system for searching reactions, reaction centers and analysis of protective groups using CGR-DB cartridge / A. Fatykhova, R. Nugmanov, R. Mukhametgaleev, S. Musaeva, V. Afonina, T. Madzhidov, A. Varnek //In search of models for personalized medicine. Abstracts volume of V International conference “POSTGENOME'2018” (October 29 - November 2, 2018) - Kazan: KFU publishing office. 2018. - P. 319. (poster presentation)
abstract.pdf -
Nugmanov R. On-Line Reaction Database Cartridge with Built-in Condensed Graph of Reaction-Based Search Engine / R. Nugmanov, A. Fatykhova, T. Madzhidov, A. Varnek // 6th Strasbourg Summer School in Chemoinformatics: Strasbourg, 25 June - 29 June 2018. - Strasbourg, 2018. - P. 62.
F_P24_Nugmanov.pdf - Фатыхова А. А. CGR-db — интегрированный картридж для системы управления базой данных химических реакций / А. А. Фатыхова, Р. И. Нугманов, Т. И. Маджидов, А. Варнек // III Международная школа-конференция студентов, аспирантов и молодых ученых «Материалы и технологии XXI века«: 29 - 31 октября 2018. - КФУ, 2018.
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Fatykhova A. On-line reaction database cartridge with built-in condensed graph of reaction-based search engine / A. Fatykhova, R. Nugmanov, T. Madzhidov, A. Varnek // Third International School-Seminar «From Empirical to Predictive Chemistry« (April 5–7, 2018, Kazan, Russia): book of abstracts / ed.: T.I. Madzhidov, V.A. Afonina; I.S. Antipin. Kazan: Kazan University Press, 2018. – 96 p.
ONLINE_REACTION_DATABASE_CARTRIDGE.pdf
2017
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Burilov V.A, Mironova D.A, Ibragimova R.R, Detection of sulfate surface-active substances via fluorescent response using new amphiphilic thiacalix[4]arenes bearing cationic headgroups with Eosin Y dye//Colloids and Surfaces A: Physicochemical and Engineering Aspects. - 2017. - Vol.515, Is. - P.41-49.
- Burilov, V.A. Detection of sulfate surface-active substances via fluorescent response using new amphiphilic thiacalix[4]arenes bearing cationic headgroups with Eosin Y dye. / V.A. Burilov, D.A. Mironova, R.R. Ibragimova, R.I. Nugmanov, S.E. Solovieva, I.S. Antipin // Colloids and Surfaces A: Physicochem. Eng. Aspects – 2017. – V.515. – P.41-49
- 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
- Afonina, V.A. Automatic system for prediction of optimal condition for hydrogenation reactions / V. Afonina, A. Lin, T. Madzhidov, R. Nugmanov, I. Antipin, O. Klimchuk, A. Varnek // 3rd Kazan Summer School on Chemoinformatics (5–7 July 2017, Kazan). – Kazan: Kazan Federal University, 2017. - P. 38.
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Nugmanov R. CGR-DB. INTERACTIVE REACTION DATABASE
AND CGR-BASED SEARCH ENGINE / R. Nugmanov, B. Sattarov, A. Fatykhova, A. Kutlushina, F. Bekmuratova, Z. Khayrullina, E. Moiseeva, R. Gimatev, T. Madzhidov, A. Varnek // 3rd Kazan Summer School on Chemoinformatics. (5–7 July 2017, Kazan). Books of abstracts. – Kazan: Kazan Federal University, 2017. – 92.
F_tuzis.pdf - 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.
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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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Burilov, V.A. Unusual Reactivity of Aliphatic and Aromatic Amines with Bromoalkyl Derivatives of Thiacalix[4]arene in 1,3-Alternate Stereoisomeric Form / V.A. Burilov, R.R. Ibragimova, B.H.Gafiatullin, R.I. Nugmanov, S.E. Solovieva, I.S. Antipin // Macroheterocycles. – 2017. – V.10(2). – P.215-220
2017_MHC.pdf -
Tutubalina E.V, Miftahutdinov Z.S, Nugmanov R.I, Using semantic analysis of texts for the identification of drugs with similar therapeutic effects//Russian Chemical Bulletin. - 2017. - Vol.66, Is.11. - P.2180-2189.
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Burilov, V.A. Unusual Reactivity of Aliphatic and Aromatic Amines with Bromoalkyl Derivatives of Thiacalix[4]arene in 1,3-Alternate Stereoisomeric Form / V.A. Burilov, R.R. Ibragimova, B.H.Gafiatullin, R.I. Nugmanov, S.E. Solovieva, I.S. Antipin // Macroheterocycles. – 2017. – V.10. – Is.2. – P.215-220
2016
2015
- Gimadiev T.R. Prediction of Tautomer Equilibrium Constants Using Condensed Graphs of Reaction / T.R. Gimadiev, R. I. Nugmanov, T. I. Madzhidov, I. I. Baskin, I. S. Antipin, A. A. Varnek // Second Kazan Summer School in Chemoinformatics: July 6-9, 2015, Kazan, Russia: Book of Abstracts and Scientific Program. - Kazan, 2015. - P. 34.
- Ibragimova, R.R. Click-reactions with Bifunctional p-tert-butylthiacalix[4]arenes Derivatives with Long Chain Alkyl and Alkynyl Fragments/ R.R. Ibragimova, R.I. Nugmanov, V.A. Burilov, S.E. Solovieva, I.S. Antipin // Siberian winter conference « Current topics in Organic Chemistry«: Book of Abstracts (Sheregesh, March 21-27, 2015) / – Novosibirsk Institute of Organic Chemistry, 2015. – С.86
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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. - Pp. 1227-1234.
- Lin A.I., Madzhidov T.I., Nugmanov R.I., Antipin I.S., Klimchuk O., Varnek A.Prediction of Protective Groups reactivity and optimal conditions in catalytic hydrogenation reaction of deprotection, Second International School-Seminar From empirical to predictive chemistry: Kazan Federal University press, 2015, p.10.
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Burilov, V.A. 'Click chemistry' in the synthesis of new
amphiphilic 1,3-alternatethiacalixarenes / V.A. Burilov, R.I. Nugmanov, R.I.Ibragomova, S.E. Solovieva, I.S. Antipin // Mendeleev Commun. - 2015. - V.25. - P.1-4
2014
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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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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.
- 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
2013
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Burilov, V.A. Microwave-assisted Alkylation of p-tert-butylcalix arene Lower Rim: The Effect of Alkyl Halides / V.A. Burilov, R.I. Nugmanov, R.R. Ibragimova, S.E. Solovieva, I.S. Antipin // Mendeleev Communications. – 2013. – V.23. – Is.2. – P.113–115.
2013_statya_Mend_kommun.pdf -
Burilov, V.A. Microwave-assisted Alkylation of p-tert-butylcalix arene Lower Rim: The Effect of Alkyl Halides / V.A. Burilov, R.I. Nugmanov, R.R. Ibragimova, S.E. Solovieva, I.S. Antipin // Mendeleev Communications. – 2013. – V.23. – Is.2. – P.113–115.
| Work address: | , |
| Office number: | 513 |
| Phone: | 2337371 |
| E-mail: | RaINugmanov@kpfu.ru |
| Google scholar: | https://scholar.google.ru/citations?user=4_DudOsAAAAJ&hl=ru |
| Laboratory site: | https://cimm.site/team/nugmanov.html |
