CGRtools: Python Library for Molecule, Reaction, and Condensed Graph of Reaction Processing
Nugmanov, Ramil I, Mukhametgaleev, Ravil N, Akhmetshin, Tagir, Gimadiev, Timur R, Afonina, Valentina A, Madzhidov, Timur I, Varnek, Alexandre
Published in Journal of chemical information and modeling (24.06.2019)
Published in Journal of chemical information and modeling (24.06.2019)
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Journal Article
Automatized Assessment of Protective Group Reactivity: A Step Toward Big Reaction Data Analysis
Lin, Arkadii I, Madzhidov, Timur I, Klimchuk, Olga, Nugmanov, Ramil I, Antipin, Igor S, Varnek, Alexandre
Published in Journal of chemical information and modeling (28.11.2016)
Published in Journal of chemical information and modeling (28.11.2016)
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Journal Article
Prediction of Optimal Conditions of Hydrogenation Reaction Using the Likelihood Ranking Approach
Afonina, Valentina A, Mazitov, Daniyar A, Nurmukhametova, Albina, Shevelev, Maxim D, Khasanova, Dina A, Nugmanov, Ramil I, Burilov, Vladimir A, Madzhidov, Timur I, Varnek, Alexandre
Published in International journal of molecular sciences (27.12.2021)
Published in International journal of molecular sciences (27.12.2021)
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Journal Article
Synthesis of new p-tert -butylcalix[4]arene-based polyammonium triazolyl amphiphiles and their binding with nucleoside phosphates
Burilov, Vladimir A, Fatikhova, Guzaliya A, Dokuchaeva, Mariya N, Nugmanov, Ramil I, Mironova, Diana A, Dorovatovskii, Pavel V, Khrustalev, Victor N, Solovieva, Svetlana E, Antipin, Igor S
Published in Beilstein journal of organic chemistry (31.07.2018)
Published in Beilstein journal of organic chemistry (31.07.2018)
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Journal Article
Stereoelectronic Effect in the Reaction of α‑Methylene Lactones with Tertiary Phosphines and Its Application in Organocatalysis
Salin, Alexey V., Shabanov, Andrey A., Khayarov, Khasan R., Nugmanov, Ramil I., Islamov, Daut R.
Published in Journal of organic chemistry (18.08.2023)
Published in Journal of organic chemistry (18.08.2023)
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Journal Article
Atom‐to‐atom Mapping: A Benchmarking Study of Popular Mapping Algorithms and Consensus Strategies
Lin, Arkadii, Dyubankova, Natalia, Madzhidov, Timur I., Nugmanov, Ramil I., Verhoeven, Jonas, Gimadiev, Timur R., Afonina, Valentina A., Ibragimova, Zarina, Rakhimbekova, Assima, Sidorov, Pavel, Gedich, Andrei, Suleymanov, Rail, Mukhametgaleev, Ravil, Wegner, Joerg, Ceulemans, Hugo, Varnek, Alexandre
Published in Molecular informatics (01.04.2022)
Published in Molecular informatics (01.04.2022)
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Journal Article
QSAR Modeling Based on Conformation Ensembles Using a Multi-Instance Learning Approach
Zankov, Dmitry V, Matveieva, Mariia, Nikonenko, Aleksandra V, Nugmanov, Ramil I, Baskin, Igor I, Varnek, Alexandre, Polishchuk, Pavel, Madzhidov, Timur I
Published in Journal of chemical information and modeling (25.10.2021)
Published in Journal of chemical information and modeling (25.10.2021)
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Journal Article
Reaction Data Curation I: Chemical Structures and Transformations Standardization
Gimadiev, Timur R., Lin, Arkadii, Afonina, Valentina A., Batyrshin, Dinar, Nugmanov, Ramil I., Akhmetshin, Tagir, Sidorov, Pavel, Duybankova, Natalia, Verhoeven, Jonas, Wegner, Joerg, Ceulemans, Hugo, Gedich, Andrey, Madzhidov, Timur I., Varnek, Alexandre
Published in Molecular informatics (01.12.2021)
Published in Molecular informatics (01.12.2021)
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Journal Article
Conjugated Quantitative Structure–Property Relationship Models: Application to Simultaneous Prediction of Tautomeric Equilibrium Constants and Acidity of Molecules
Zankov, Dmitry V, Madzhidov, Timur I, Rakhimbekova, Assima, Gimadiev, Timur R, Nugmanov, Ramil I, Kazymova, Marina A, Baskin, Igor I, Varnek, Alexandre
Published in Journal of chemical information and modeling (25.11.2019)
Published in Journal of chemical information and modeling (25.11.2019)
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Journal Article
Microwave-assisted Alkylation of p-tert-butylcalix[4]arene Lower Rim: The Effect of Alkyl Halides
Burilov, Vladimir A., Nugmanov, Ramil I., Ibragimova, Regina R., Solovieva, Svetlana E., Antipin, Igor S., Konovalov, Alexander I.
Published in Mendeleev communications (01.03.2013)
Published in Mendeleev communications (01.03.2013)
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Journal Article
Functional supramolecular systems: design and applications
Antipin, Igor S., Alfimov, Mikhail V., Arslanov, Vladimir V., Burilov, Vladimir A., Vatsadze, Sergey Z., Voloshin, Yan Z., Volcho, Konstantin P., Gorbatchuk, Valery V., Gorbunova, Yulia G., Gromov, Sergey P., Dudkin, Semyon V., Zaitsev, Sergei Yu, Zakharova, Lucia Ya, Ziganshin, Marat A., Zolotukhina, Anna V., Kalinina, Maria A., Karakhanov, Eduard A., Kashapov, Ruslan R., Koifman, Oskar I., Konovalov, Alexander I., Korenev, Vladimir S., Maksimov, Anton L., Mamardashvili, Nugzar Zh, Mamardashvili, Galina M., Martynov, Alexander G., Mustafina, Asiya R., Nugmanov, Ramil I., Ovsyannikov, Alexander S., Padnya, Pavel L., Potapov, Andrei S., Selektor, Sofiya L., Sokolov, Maxim N., Solovieva, Svetlana E., Stoikov, Ivan I., Stuzhin, Pavel A., Suslov, Evgenii V., Ushakov, Evgeny N., Fedin, Vladimir P., Fedorenko, Svetlana V., Fedorova, Olga A., Fedorov, Yury V., Chvalun, Sergei N., Tsivadze, Aslan Yu, Shtykov, Sergei N., Shurpik, Dmitriy N., Shcherbina, Maxim A., Yakimova, Luidmila S.
Published in Russian chemical reviews (01.09.2021)
Published in Russian chemical reviews (01.09.2021)
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Journal Article
Machine learning modelling of chemical reaction characteristics: yesterday, today, tomorrow
Madzhidov, Timur I., Rakhimbekova, Assima, Afonina, Valentina A., Gimadiev, Timur R., Mukhametgaleev, Ravil N., Nugmanov, Ramil I., Baskin, Igor I., Varnek, Alexandre
Published in Mendeleev communications (01.11.2021)
Published in Mendeleev communications (01.11.2021)
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Journal Article
Cross-validation strategies in QSPR modelling of chemical reactions
Rakhimbekova, A., Akhmetshin, T.N., Minibaeva, G.I., Nugmanov, R.I., Gimadiev, T.R., Madzhidov, T.I., Baskin, I.I., Varnek, A.
Published in SAR and QSAR in environmental research (04.03.2021)
Published in SAR and QSAR in environmental research (04.03.2021)
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Journal Article
Synthesis of new p-tert-butylcalix4arene-based polyammonium triazolyl amphiphiles and their binding with nucleoside phosphates
Burilov, Vladimir A, Fatikhova, Guzaliya A, Dokuchaeva, Mariya N, Nugmanov, Ramil I, Mironova, Diana A, Dorovatovskii, Pavel V, Khrustalev, Victor N, Solovieva, Svetlana E, Antipin, Igor S
Published in Beilstein journal of organic chemistry (01.01.2018)
Published in Beilstein journal of organic chemistry (01.01.2018)
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Journal Article
Unusual Reactivity of Aliphatic and Aromatic Amines with Bromoalkyl Derivatives of Thiacalix[4]arene in 1,3-Alternate Stereoisomeric Form
Burilov, Vladimir A., Ibragimova, Regina R., Gafiatullin, Bulat H., Nugmanov, Ramil I., Solovieva, Svetlana E., Antipin, Igor S.
Published in Macroheterocycles (2017)
Published in Macroheterocycles (2017)
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Journal Article