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

  1. 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

  2. QSAR study of the toxic action of aliphatic compounds to the bacteria Vibrio fisheri based on correlation weighting of local graph invariants

    Eduardo A. Castro, Andrey A. Toropov, A.I. Nesterova +1

    ArticleComputational Drug Discovery MethodsJournal of Molecular Structure THEOCHEM20030 citations
    ABI

  3. Improved QSAR modeling of anti-HIV-1 acivities by means of the optimized correlation weights of local graph invariants

    Damián Marino, Eduardo A. Castro, Andrey A. Toropov

    ArticleComputational Drug Discovery MethodsOpen Chemistry20060 citations
    ABI

  4. The System of Self-Consistent QSPR-Models for Refractive Index of Polymers

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

    PreprintComputational Drug Discovery MethodsResearch Square20210 citations
    ABI