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10 та иш

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

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

    Ivan Raška, Andrey A. Toropov

    МақолаComputational Drug Discovery MethodsEuropean Journal of Medicinal Chemistry20062 иқтибос
    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

    МақолаComputational Drug Discovery MethodsChemical Physics Letters20042 иқтибос
    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

    МақолаMolecular spectroscopy and chiralityBioorganic & Medicinal Chemistry20052 иқтибос
    ABI

  4. QSPR modeling of the water solubility of diverse functional aliphatic compounds by optimization of correlation weights of local graph invariants

    Kunal Roy, Andrey A. Toropov

    МақолаComputational Drug Discovery MethodsJournal of Molecular Modeling20051 иқтибос
    ABI

  5. Additive SMILES-based optimal descriptors in QSAR modelling bee toxicity: Using rare SMILES attributes to define the applicability domain

    Andrey A. Toropov, Emilio Benfenati

    МақолаComputational Drug Discovery MethodsBioorganic & Medicinal Chemistry20081 иқтибос
    ABI

  6. QSPR modeling of the half-wave potentials of benzoxazines by optimal descriptors calculated with the SMILES

    Andrey A. Toropov, Karel Nesměrák, Ivan Raška +2

    МақолаPhenothiazines and Benzothiazines Synthesis and ActivitiesComputational Biology and Chemistry20061 иқтибос
    ABI

  7. 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

    МақолаComputational Drug Discovery MethodsJournal of Molecular Structure THEOCHEM20041 иқтибос
    ABI

  8. QSAR Modeling of Peripheral<i>Versus</i>Central Benzodiazepine Receptor Binding Affinity of 2‐Phenylimidazo[1,2‐a]pyridineacetamides using Optimal Descriptors Calculated with SMILES

    Kunal Roy, Andrey A. Toropov, Ivan Raška

    МақолаComputational Drug Discovery MethodsQSAR & Combinatorial Science20061 иқтибос
    ABI

  9. 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

    МақолаComputational Drug Discovery MethodsMolecular Diversity20040 иқтибос
    ABI

  10. 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

    МақолаComputational Drug Discovery MethodsStructural Chemistry20050 иқтибос
    ABI