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8 works

Work: Prediction of heteroaromatic amine mutagenicity by means of correlation weighting of atomic orbital graphs of local invariants

  1. 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

  2. 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

  3. 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

    ArticleMolecular spectroscopy and chiralityBioorganic & Medicinal Chemistry20052 citations
    ABI

  4. 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

  5. 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

  6. 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

  7. 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

  8. QSAR-modeling of toxicity of organometallic compounds by means of the balance of correlations for InChI-based optimal descriptors

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

    ArticleComputational Drug Discovery MethodsMolecular Diversity20090 citations
    ABI