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Works cited by this work

27 works

Work: Prediction of alkane enthalpies by means of correlation weighting of Morgan extended connectivity in molecular graphs

  1. Untitled

    Other1117 citations
    ABI

  2. Prediction of Aquatic Toxicity:  Use of Optimization of Correlation Weights of Local Graph Invariants

    Andrey A. Toropov, T.W. Schultz

    Article200310 citations
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  3. Modeling of acyclic carbonyl compounds normal boiling points by correlation weighting of nearest neighboring codes

    Andrey A. Toropov, Alla P. Toropova

    Article20029 citations
    ABI

  4. Optimal characterization of structure for prediction of properties

    Subhash C. Basak, Gerald J. Niemi, Gilman D. Veith

    Article19909 citations
    ABI

  5. Prediction of heteroaromatic amine mutagenicity by means of correlation weighting of atomic orbital graphs of local invariants

    Andrey A. Toropov, Alla P. Toropova

    Article20018 citations
    ABI

  6. Improved QSPR analysis of standard entropy of acyclic and aromatic compounds using optimized correlation weights of linear graph invariants

    Pablo R. Duchowicz, Eduardo A. Castro, Andrey A. Toropov

    Article20028 citations
    ABI

  7. QSPR modeling of the enthalpy of formation from elements by means of correlation weighting of local invariants of atomic orbital molecular graphs

    Andrés Mercader, Eduardo A. Castro, Andrey A. Toropov

    Article20008 citations
    ABI

  8. Improved molecular descriptors to calculate boiling points based on the optimization of correlation weights of local graph invariants

    Germán Krenkel

    Article20017 citations
    ABI

  9. Improved Molecular Descriptors Based on the Optimization of Correlation Weights of Local Graph Invariants

    Germán Krenkel, Eduardo A. Castro, Andrey A. Toropov

    Article20017 citations
    ABI

  10. QSAR modeling of toxicity on optimization of correlation weights of Morgan extended connectivity

    Andrey A. Toropov, Alla P. Toropova

    Article20026 citations
    ABI

  11. Modeling of lipophilicity by means of correlation weighting of local graph invariants

    Andrey A. Toropov, Alla P. Toropova

    Article20016 citations
    ABI

  12. Calculation of total molecular electronic energies from Correlation Weighting of Local Graph Invariants

    Andrés Mercader, Eduardo A. Castro, Andrey A. Toropov

    Article19996 citations
    ABI

  13. Structure–Toxicity Relationships for Aliphatic Compounds Based on Correlation Weighting of Local Graph Invariants

    Andrey A. Toropov, Pablo R. Duchowicz, Eduardo A. Castro

    Article20036 citations
    ABI

  14. Calculation of pK values of flavylium salts from the optimization of correlation weights of local graph invariants

    Pablo J. Peruzzo, Damián Marino, Eduardo A. Castro +1

    Article20015 citations
    ABI

  15. Using Correlation Weight Optimization of the Local Invariants of Graphs for QSPR Simulation of Crystal Lattice Energy

    Alla P. Toropova, Andrey A. Toropov

    Article20014 citations
    ABI

  16. QSPR Modeling of Stability of Complexes of Adenosine Phosphate Derivatives with Metals Absent from the Complexes of the Teaching Access

    Andrey A. Toropov, Alla P. Toropova

    Article20014 citations
    ABI

  17. QSAR modeling of dihydrofolate reductase inhibitory activity by correlation weighting of nearest neighboring codes

    Andrey A. Toropov, I.V. Nesterov, Ozad M. Nabiev

    Article20034 citations
    ABI

  18. Correlation between Structure and Normal Boiling Points of Acyclic Carbonyl Compounds

    Alexandrù T. Balaban, Denise Mills, Subhash C. Basak

    Article19994 citations
    ABI

  19. 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

  20. 3D and 4D molecular models derived from the ideal symmetry method: prediction of alkanes normal boiling points

    Germán Krenkel, Eduardo A. Castro, Andrey A. Toropov

    Article20024 citations
    ABI

  21. Maximum topological distances based indices as molecular descriptors for QSPR

    Eduardo A. Castro, Matias Jorge Tueros, Andrey A. Toropov

    Article20004 citations
    ABI

  22. 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

  23. QSPR Modeling of Complex Stability by Optimization of Correlation Weights of the Hydrogen Bond Index and the Local Graph Invariants

    Andrey A. Toropov, Alla P. Toropova

    Article20023 citations
    ABI

  24. Maximum topological distances based indices as molecular descriptors for QSPR. Part 1. Application to alkyl benzenes boiling points

    Mariano Firpo, Luciana Gavernet, Eduardo A. Castro +1

    Article20003 citations
    ABI

  25. Engineering optimization: Methods and applications

    Article19842 citations
    ABI