SAR and QSAR in Environmental Researchжурнал

Редколлегия

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• Палюлин Владимир Александрович, с 1 января 2020

Статьи, опубликованные в журнале

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• • 2022 HDAC1 PREDICTOR: a simple and transparent application for virtual screening of histone deacetylase 1 inhibitors
  • Tinkov O.V., Grigorev V.Y., Grigoreva L.D., Osipov V.N.
  • в журнале SAR and QSAR in Environmental Research, издательство Taylor & Francis (United Kingdom), том 33, № 12, с. 915-931 DOI
• • 2022 QSAR analysis and experimental evaluation of new quinazoline-containing hydroxamic acids as histone deacetylase 6 inhibitors
  • Tinkov O.V., Grigorev V.Y., Grigoreva L.D., Osipov V.N., Kolotaev A.V., Khachatryan D.S.
  • в журнале SAR and QSAR in Environmental Research, издательство Taylor & Francis (United Kingdom), том 33, № 7, с. 513-532 DOI
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  • 2021 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.
  • в журнале SAR and QSAR in Environmental Research, издательство Taylor & Francis (United Kingdom), том 32, № 3, с. 207-219 DOI
• • 2021 Design of phosphoryl containing podands with Li+/Na+ selectivity using machine learning
  • Solov’ev V., Baulin D., Tsivadze A.
  • в журнале SAR and QSAR in Environmental Research, издательство Taylor & Francis (United Kingdom) DOI
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  • 2020 Autoignition temperature: comprehensive data analysis and predictive models
  • Baskin I.I., Lozano S., Durot M., Marcou G., Horvath D., Varnek A.
  • в журнале SAR and QSAR in Environmental Research, издательство Taylor & Francis (United Kingdom), том 31, № 8, с. 597-613 DOI
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  • 2019 Short peptide with an inhibitory activity on the NMDA/Gly-induced currents
  • Karlov D.S., Barygin O.I., Dron M.Y., Palyulin V.A., Grigoriev V.V., Fedorov M.V.
  • в журнале SAR and QSAR in Environmental Research, издательство Taylor & Francis (United Kingdom), том 30, с. 1-13 DOI
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  • 2019 Supercomputer docking with a large number of degrees of freedom
  • Sulimov A.V., Kutov D., Ilin I., Zheltkov D., Tyrtyshnikov E., Sulimov V.B.
  • в журнале SAR and QSAR in Environmental Research, издательство Taylor & Francis (United Kingdom), том 30, № 10, с. 733-749 DOI
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  • 2018 Multipole models of sulphur for accurate anisotropic electrostatic interactions within force fields
  • Shulga D.A., Titov O.I., Pisarev S.A., Palyulin V.A.
  • в журнале SAR and QSAR in Environmental Research, издательство Taylor & Francis (United Kingdom), том 29, № 1, с. 21-42 DOI
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  • 2015 Virtual screening of chemical compounds active against breast cancer cell lines based on cell cycle modelling, prediction of cytotoxicity and interaction with targets
  • Konova V., Lagunin A., Pogodin P., Kolotova E., Shtil A., Poroikov V.
  • в журнале SAR and QSAR in Environmental Research, издательство Taylor & Francis (United Kingdom), том 26, № 7-9, с. 595-604
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  • 2013 Towards in silico identification of the human ether-a-go-go-related gene channel blockers: discriminative vs. generative classification models
  • Kireeva N., Kuznetsov S.L., Bykov A.A., Tsivadze A.Yu
  • в журнале SAR and QSAR in Environmental Research, издательство Taylor & Francis (United Kingdom), том 24, № 2, с. 103-117 DOI
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  • 2012 Combined QSAR studies of inhibitor properties of O-phosphorylated oximes toward serine esterases involved in neurotoxicity, drug metabolism and Alzheimer’s disease
  • Makhaeva G.F., Radchenko E.V., Baskin I.I., Palyulin V.A., Richardson R.J., Zefirov N.S.
  • в журнале SAR and QSAR in Environmental Research, издательство Taylor & Francis (United Kingdom), том 23, № 7-8, с. 627-647 DOI
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  • 2010 Analysis of hydrophobic interactions of antagonists with the beta2-adrenergic receptor
  • Novoseletsky V.N., Pyrkov T.V., Efremov R.G.
  • в журнале SAR and QSAR in Environmental Research, издательство Taylor & Francis (United Kingdom), том 21, № 1, с. 37-55
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  • 2009 Design of topological indices: computer-oriented approach
  • Skvortsova M.I., Palyulin V.A., Zefirov N.S.
  • в журнале SAR and QSAR in Environmental Research, издательство Taylor & Francis (United Kingdom), том 20, № 3-4, с. 357-377 DOI
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  • 2008 Fast tools for calculation of atomic charges well suited for drug design
  • Shulga D.A., Oliferenko A.A., Pisarev S.A., Palyulin V.A., Zefirov N.S.
  • в журнале SAR and QSAR in Environmental Research, издательство Taylor & Francis (United Kingdom), том 19, № 1-2, с. 153-165 DOI
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  • 2008 Ligand-specific scoring functions: Improved ranking of docking solutions
  • Pyrkov T.V., Priestle J., Jacoby E., Efremov R.G.
  • в журнале SAR and QSAR in Environmental Research, издательство Taylor & Francis (United Kingdom), том 19, № 1, с. 91-99
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  • 2005 Highly diverse, massive organic data as explored by a composite QSPR strategy: An advanced study of boiling point
  • Ivanova A.A., Ivanov A.A., Oliferenko A.A., Palyulin V.A., Zefirov N.S.
  • в журнале SAR and QSAR in Environmental Research, издательство Taylor & Francis (United Kingdom), том 16, № 3, с. 231-246 DOI
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  • 2002 A new scheme for electronegativity equalization as a source of electronic descriptors: Application to chemical reactivity
  • Oliferenko A.A., Krylenko P.V., Palyulin V.A., Zefirov N.S.
  • в журнале SAR and QSAR in Environmental Research, издательство Taylor & Francis (United Kingdom), том 13, № 2, с. 297-305 DOI
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  • 2002 An approach to the interpretation of backpropagation neural network models in QSAR studies
  • Baskin I.I., Ait A.O., Halberstam N.M., Palyulin V.A., Zefirov N.S.
  • в журнале SAR and QSAR in Environmental Research, издательство Taylor & Francis (United Kingdom), том 13, № 1, с. 35-41 DOI
• • 2001 MOLECULAR MODELLING OF DISEASE-CAUSING SINGLE-NUCLEOTIDE POLYMORPHISMS IN COLLAGEN
  • Milchevsky J.V., Ramensky V.E., Esipova N.G., Tumanyan V.G., Zorov B.S.
  • в журнале SAR and QSAR in Environmental Research, издательство Taylor & Francis (United Kingdom), том 12, № 4, с. 383-399 DOI
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  • 2001 Symposium on Bioinformatics and Computer-Aided Drug Discovery - April 12-13, 2000, Moscow, Russia - Preface
  • Zefirov N., Poroikov V., Raevsky O.
  • в журнале SAR and QSAR in Environmental Research, издательство Taylor & Francis (United Kingdom), том 12, № 4, с. I-II
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  • 2001 The Learned Symmetry Concept in Revealing Quantitative Structure-Activity Relationships With Artificial Neural Networks
  • Baskin I.I., Halberstam N.M., Mukhina T.V., Palyulin V.A., Zefirov N.S.
  • в журнале SAR and QSAR in Environmental Research, издательство Taylor & Francis (United Kingdom), том 12, № 4, с. 401-416 DOI
• • 1995 Interaction of Humic Substances with Organic Pollutants and its Influence on the Concentration of these Pollutants from Water
  • Dem'yanov P.I.
  • в журнале SAR and QSAR in Environmental Research, издательство Taylor & Francis (United Kingdom), том 4, № 4, с. 211-218 DOI