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Alla P. Toropova

38 works

Laboratory of Environmental Chemistry and Toxicology, Istituto di Ricerche Farmacologiche Mario Negri IRCCS, Via Mario Negri 2, 20156, Milan, Italy

  1. 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

    ArticleAdsorption, diffusion, and thermodynamic properties of materialsStructural Chemistry20204 citations
    ABI

  2. 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

    ArticleComputational Drug Discovery MethodsRussian Journal of Inorganic Chemistry20004 citations
    ABI

  3. 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

    ArticleComputational Drug Discovery MethodsJournal of Molecular Structure THEOCHEM19984 citations
    ABI

  4. 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

    ArticleComputational Drug Discovery MethodsINDIAN JOURNAL OF CHEMISTRY- SECTION A20053 citations
    ABI

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

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

    ArticleComputational Drug Discovery MethodsJournal of Polymer Research20153 citations
    ABI

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

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

    ArticleComputational Drug Discovery MethodsUniversity of Zagreb University Computing Centre (SRCE)20052 citations
    ABI

  7. 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

    ArticleComputational Drug Discovery MethodsChemical Physics Letters20042 citations
    ABI

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

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

    ArticleComputational Drug Discovery MethodsEuropean Journal of Medicinal Chemistry20071 citations
    ABI

  9. 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

    ArticleComputational Drug Discovery MethodsJournal of Computational Chemistry20091 citations
    ABI

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

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

    ArticleThermal and Kinetic AnalysisJournal of Mathematical Chemistry20141 citations
    ABI

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

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

    ArticleComputational Drug Discovery MethodsStructural Chemistry20221 citations
    ABI

  12. QSAR modelling of carcinogenicity by balance of correlations

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

    ArticleAdvanced Chemical Sensor TechnologiesMolecular Diversity20091 citations
    ABI

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

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

    ArticleComputational Drug Discovery MethodsEuropean Journal of Medicinal Chemistry20101 citations
    ABI

  14. 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

    ArticleComputational Drug Discovery MethodsJournal of Molecular Structure THEOCHEM20041 citations
    ABI

  15. 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

    ArticleHIV/AIDS drug development and treatmentJournal of Molecular Structure THEOCHEM20031 citations
    ABI

  16. Building Up QSPR for Polymers Endpoints by Using SMILES-Based Optimal Descriptors

    В. О. Кудышкин, Alla P. Toropova

    ChapterComputational Drug Discovery MethodsChallenges and advances in computational chemistry and physics20231 citations
    ABI

  17. Generalized zero-order molecular connectivity index: enthalpies of crystalline aquo and ammino complexes in qspr modeling

    Andrey A. Toropov, Alla P. Toropova, Н. Л. Воропаева +2

    ArticleChemical Thermodynamics and Molecular Structure19981 citations
    ABI

  18. The use of deformation indices of the ideal symmetry model in calculations of the thermodynamic properties of organic compounds

    Andrey A. Toropov, Alla P. Toropova, Т. Т. Исмаилов +3

    ArticleChemical Thermodynamics and Molecular StructureRussian Journal of Physical Chemistry A19960 citations
    ABI

  19. Approval of the random-mutual-orientation statistics index as a basis for searching for "structure-property" relationships in coordination compounds

    Andrey A. Toropov, Alla P. Toropova, Н. Л. Воропаева +2

    ArticleChemical Thermodynamics and Molecular Structure19960 citations
    ABI

  20. Extended molecular connectivity: Prediction of boiling points of alkanes

    Andrey A. Toropov, Alla P. Toropova, Т. Т. Исмаилов +2

    ArticleComputational Drug Discovery MethodsJournal of Structural Chemistry19970 citations
    ABI

  21. Correlations of indices calculated from the matrix of maximal topological distances with boiling points of alkylbenzenes

    Andrey A. Toropov, Alla P. Toropova, Т. Т. Исмаилов +2

    ArticleGraph theory and applicationsJournal of Structural Chemistry19970 citations
    ABI

  22. Using the maximal topological distance matrix for QSPR modeling of the boiling points of cyclic hydrocarbons

    Andrey A. Toropov, Alla P. Toropova, Н. Л. Воропаева +2

    ArticleComputational Drug Discovery MethodsJournal of Structural Chemistry19990 citations
    ABI

  23. Testing the atomic orbital graph as a basis for QSPR modeling of the boiling points of haloalkanes

    Andrey A. Toropov, Alla P. Toropova, Н. Л. Воропаева +2

    ArticleComputational Drug Discovery MethodsJournal of Structural Chemistry19990 citations
    ABI

  24. Two concepts of weighing molecular graph local invariants in QSPR modeling of the enthalpies of complexes: Sampling of increments and optimization of correlation weights

    Andrey A. Toropov, Alla P. Toropova, Н. Л. Воропаева +2

    ArticleComputational Drug Discovery Methods19990 citations
    ABI

  25. QSPR modeling of Gibbs free energy of chemical transformations of oil shale components during thermal treatment

    Eduardo A. Castro, Alla P. Toropova, Andrey A. Toropov +1

    ArticleHydrocarbon exploration and reservoir analysisSSRN Electronic Journal20030 citations
    ABI