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5 ta ish

Ish: Optimal Molecular Descriptors Based on Weighted Path Numbers

  1. QSPR Modeling of Lipid-Water Partition Coefficient by Optimization of Correlation Weights of Local Graph Invariants

    Andrey A. Toropov, Kunal Roy

    MaqolaComputational Drug Discovery MethodsJournal of Chemical Information and Computer Sciences20037 iqtibos
    ABI

  2. 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

    MaqolaOchiq kirishComputational Drug Discovery MethodsQSAR & Combinatorial Science20063 iqtibos
    ABI

  3. 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

    MaqolaComputational Drug Discovery MethodsJournal of Molecular Modeling20051 iqtibos
    ABI

  4. QSPR modeling of octanol/water partition coefficient of antineoplastic agents by balance of correlations

    Andrey A. Toropov, Alla P. Toropova, Ivan Raška +1

    MaqolaComputational Drug Discovery MethodsEuropean Journal of Medicinal Chemistry20101 iqtibos
    ABI

  5. SMILES-based optimal descriptors: QSAR modeling of carcinogenicity by balance of correlations with ideal slopes

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

    Maqola20101 iqtibos
    ABI