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Works citing this work

9 works

Work: Optimal characterization of structure for prediction of properties

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

    Andrey A. Toropov, Kunal Roy

    ArticleComputational Drug Discovery MethodsJournal of Chemical Information and Computer Sciences20037 citations
    ABI

  2. 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

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

    Ivan Raška, Andrey A. Toropov

    ArticleComputational Drug Discovery MethodsEuropean Journal of Medicinal Chemistry20062 citations
    ABI

  4. 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

  5. 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

  6. 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

  7. 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

  8. Fractal dimensionality of molecular models obtained by the ideal symmetry method as a structural descriptor for QSPR investigations

    I. N. Ruban, Andrey A. Toropov, Б. Л. Оксенгендлер

    ArticleComputational Drug Discovery MethodsJournal of Structural Chemistry19990 citations
    ABI

  9. QSPR Modeling of Complex Stability by Correlation Weighing of the Topological and Chemical Invariants of Molecular Graphs

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

    ArticleComputational Drug Discovery MethodsRussian Journal of Coordination Chemistry20040 citations
    ABI