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Andrey A. Toropov

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Uzbekistan Academy of Sciences Research Institute ‘Algorithm-Engineering', 700125 F. Khodjaeva Street 25, Tashkent, Uzbekistan, and Drug Theoretics and Cheminformatics Lab Division of Medicinal and Pharmaceutical Chemistry, Department of Pharmaceutical Technology, Jadavpur University, Kolkata 700 032, India

  1. QSPR Modeling of Lipid-Water Partition Coefficient by Optimization of Correlation Weights of Local Graph Invariants

    Andrey A. Toropov, Kunal Roy

    MaqolaComputational Drug Discovery MethodsJournal of Chemical Information and Computer Sciences20037 iqtibos
    ABI

  2. Applying the Monte Carlo technique to build up models of glass transition temperatures of diverse polymers

    Andrey A. Toropov, Alla P. Toropova, В. О. Кудышкин +2

    MaqolaAdsorption, diffusion, and thermodynamic properties of materialsStructural Chemistry20204 iqtibos
    ABI

  3. QSPR Modeling of Stability Constants of Coordination Compounds by Optimization of Correlation Weights of Local Graph Invariants

    Alla P. Toropova, Andrey A. Toropov, M. M. Ishankhodzhaeva +1

    MaqolaComputational Drug Discovery MethodsRussian Journal of Inorganic Chemistry20004 iqtibos
    ABI

  4. Quantitative structure-property relationships for binary polymer-solvent systems: Correlation weighing of the local invariants of molecular graphs

    Andrey A. Toropov, Н. Л. Воропаева, I. N. Ruban +1

    MaqolaChemical Thermodynamics and Molecular Structure19994 iqtibos
    ABI

  5. 3D weighting of molecular descriptors for QSPR/QSAR by the method of ideal symmetry (MIS). 1. Application to boiling points of alkanes

    Andrey A. Toropov, Alla P. Toropova, Т. Т. Исмаилов +1

    MaqolaComputational Drug Discovery MethodsJournal of Molecular Structure THEOCHEM19984 iqtibos
    ABI

  6. Simplified molecular input line entry system (SMILES) as an alternative for constructing quantitative structure-property relationships (QSPR)

    Andrey A. Toropov, Alla P. Toropova, Dilya V. Mukhamedzhanova +1

    MaqolaComputational Drug Discovery MethodsINDIAN JOURNAL OF CHEMISTRY- SECTION A20053 iqtibos
    ABI

  7. SMILES in QSPR/QSAR Modeling: Results and Perspectives

    Andrey A. Toropov, Emilio Benfenati

    MaqolaComputational Drug Discovery MethodsCurrent Drug Discovery Technologies20073 iqtibos
    ABI

  8. Prediction of the Q-e parameters from structures of transfer chain agents

    Alla P. Toropova, Andrey A. Toropov, В. О. Кудышкин +1

    MaqolaComputational Drug Discovery MethodsJournal of Polymer Research20153 iqtibos
    ABI

  9. Comparison of QSPR models of octanol/water partition coefficient for vitamins and non vitamins

    Ivan Raška, Andrey A. Toropov

    MaqolaComputational Drug Discovery MethodsEuropean Journal of Medicinal Chemistry20062 iqtibos
    ABI

  10. Comparison of QSPR Models Based on Hydrogen-Filled Graphs and on Graphs of Atomic Orbitals

    Andrey A. Toropov, Alla P. Toropova, İvan Gutman

    MaqolaComputational Drug Discovery MethodsUniversity of Zagreb University Computing Centre (SRCE)20052 iqtibos
    ABI

  11. Prediction of alkane enthalpies by means of correlation weighting of Morgan extended connectivity in molecular graphs

    Andrey A. Toropov, Alla P. Toropova, A.I. Nesterova +1

    MaqolaComputational Drug Discovery MethodsChemical Physics Letters20042 iqtibos
    ABI

  12. QSPR Modeling of the Reactivity Parameters of Monomers in Radical Copolymerizations

    Andrey A. Toropov, В. О. Кудышкин, Н. Л. Воропаева +2

    MaqolaComputational Drug Discovery MethodsJournal of Structural Chemistry20042 iqtibos
    ABI

  13. QSAR of the testosterone binding globulin affinity by means of correlation weighting of local invariants of the graph of atomic orbitals

    Ivan Raška, Andrey A. Toropov

    MaqolaMolecular spectroscopy and chiralityBioorganic & Medicinal Chemistry20052 iqtibos
    ABI

  14. QSPR modeling of the water solubility of diverse functional aliphatic compounds by optimization of correlation weights of local graph invariants

    Kunal Roy, Andrey A. Toropov

    MaqolaComputational Drug Discovery MethodsJournal of Molecular Modeling20051 iqtibos
    ABI

  15. QSPR modeling of octanol/water partition coefficient for vitamins by optimal descriptors calculated with SMILES

    Andrey A. Toropov, Alla P. Toropova, Ivan Raška

    MaqolaComputational Drug Discovery MethodsEuropean Journal of Medicinal Chemistry20071 iqtibos
    ABI

  16. Additive SMILES-based optimal descriptors in QSAR modelling bee toxicity: Using rare SMILES attributes to define the applicability domain

    Andrey A. Toropov, Emilio Benfenati

    MaqolaComputational Drug Discovery MethodsBioorganic & Medicinal Chemistry20081 iqtibos
    ABI

  17. SMILES‐based optimal descriptors: QSAR analysis of fullerene‐based HIV‐1 PR inhibitors by means of balance of correlations

    Andrey A. Toropov, Alla P. Toropova, Emilio Benfenati +2

    MaqolaComputational Drug Discovery MethodsJournal of Computational Chemistry20091 iqtibos
    ABI

  18. <i>Aconitum</i>and<i>Delphinium</i>Diterpenoid Alkaloids of Local Anesthetic Activity: Comparative QSAR Analysis Based on GA-MLRA/PLS and Optimal Descriptors Approach

    Malakhat A. Turabekova, Bakhtiyor Rasulev, F. N. Dzhakhangirov +3

    MaqolaPlant-based Medicinal ResearchJournal of Environmental Science and Health Part C20141 iqtibos
    ABI

  19. Optimal descriptors as a tool to predict the thermal decomposition of polymers

    Alla P. Toropova, Andrey A. Toropov, В. О. Кудышкин +2

    MaqolaThermal and Kinetic AnalysisJournal of Mathematical Chemistry20141 iqtibos
    ABI

  20. The system of self-consistent QSPR-models for refractive index of polymers

    Andrey A. Toropov, Alla P. Toropova, В. О. Кудышкин

    MaqolaComputational Drug Discovery MethodsStructural Chemistry20221 iqtibos
    ABI

  21. QSAR modelling of carcinogenicity by balance of correlations

    Andrey A. Toropov, Alla P. Toropova, Emilio Benfenati +1

    MaqolaAdvanced Chemical Sensor TechnologiesMolecular Diversity20091 iqtibos
    ABI

  22. QSPR modeling of octanol/water partition coefficient of antineoplastic agents by balance of correlations

    Andrey A. Toropov, Alla P. Toropova, Ivan Raška +1

    MaqolaComputational Drug Discovery MethodsEuropean Journal of Medicinal Chemistry20101 iqtibos
    ABI

  23. QSPR modeling of the half-wave potentials of benzoxazines by optimal descriptors calculated with the SMILES

    Andrey A. Toropov, Karel Nesměrák, Ivan Raška +2

    MaqolaPhenothiazines and Benzothiazines Synthesis and ActivitiesComputational Biology and Chemistry20061 iqtibos
    ABI

  24. Nearest neighboring code and hydrogen bond index in labeled hydrogen-filled graph and graph of atomic orbitals: application to model of normal boiling points of haloalkanes

    Andrey A. Toropov, Alla P. Toropova

    MaqolaComputational Drug Discovery MethodsJournal of Molecular Structure THEOCHEM20041 iqtibos
    ABI

  25. Comparison of QSAR models of anti-HIV-1 potencies based on labeled hydrogen filled graph and graph of atomic orbitals

    Andrey A. Toropov, Alla P. Toropova, I.V. Nesterov +1

    MaqolaHIV/AIDS drug development and treatmentJournal of Molecular Structure THEOCHEM20031 iqtibos
    ABI