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6 ta ish

Ish: Modeling of lipophilicity by means of correlation weighting of local graph invariants

  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

    MaqolaComputational Drug Discovery MethodsChemical Physics Letters20042 iqtibos
    ABI

  2. 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

    MaqolaComputational Drug Discovery MethodsJournal of Molecular Structure THEOCHEM20041 iqtibos
    ABI

  3. 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

    MaqolaHIV/AIDS drug development and treatmentJournal of Molecular Structure THEOCHEM20031 iqtibos
    ABI

  4. QSPR modeling the aqueous solubility of alcohols by optimization of correlation weights of local graph invariants

    Pablo R. Duchowicz, Eduardo A. Castro, Andrey A. Toropov +2

    MaqolaComputational Drug Discovery MethodsMolecular Diversity20040 iqtibos
    ABI

  5. QSPR modeling aqueous solubility of polychlorinated biphenyls by optimization of correlation weights of local and global graph invariants

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

    MaqolaComputational Drug Discovery MethodsOpen Chemistry20040 iqtibos
    ABI

  6. QSPR Modeling of Gibbs Free Energy of Organic Compounds by Weighting of Nearest Neighboring Codes

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

    MaqolaComputational Drug Discovery MethodsStructural Chemistry20050 iqtibos
    ABI