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8 ta ish

Ish: SMILES. 3. DEPICT. Graphical depiction of chemical structures

  1. Prediction of the Q-e parameters from structures of transfer chain agents

    Alla P. Toropova, Andrey A. Toropov, В. О. Кудышкин +1

    MaqolaComputational Drug Discovery MethodsJournal of Polymer Research20153 iqtibos
    ABI

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

    Andrey A. Toropov, Emilio Benfenati

    MaqolaComputational Drug Discovery MethodsBioorganic & Medicinal Chemistry20081 iqtibos
    ABI

  3. SMILES‐based optimal descriptors: QSAR analysis of fullerene‐based HIV‐1 PR inhibitors by means of balance of correlations

    Andrey A. Toropov, Alla P. Toropova, Emilio Benfenati +2

    MaqolaComputational Drug Discovery MethodsJournal of Computational Chemistry20091 iqtibos
    ABI

  4. QSAR modelling of carcinogenicity by balance of correlations

    Andrey A. Toropov, Alla P. Toropova, Emilio Benfenati +1

    MaqolaAdvanced Chemical Sensor TechnologiesMolecular Diversity20091 iqtibos
    ABI

  5. 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

  6. 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

    MaqolaComputational Drug Discovery MethodsMolecular Diversity20090 iqtibos
    ABI

  7. QSPR modeling of enthalpies of formation for organometallic compounds by SMART‐based optimal descriptors

    Andrey A. Toropov, Alla P. Toropova, Emilio Benfenati +1

    MaqolaComputational Drug Discovery MethodsJournal of Computational Chemistry20090 iqtibos
    ABI

  8. InChI-based optimal descriptors: QSAR analysis of fullerene[C60]-based HIV-1 PR inhibitors by correlation balance

    Andrey A. Toropov, Alla P. Toropova, Emilio Benfenati +2

    MaqolaComputational Drug Discovery MethodsEuropean Journal of Medicinal Chemistry20100 iqtibos
    ABI