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Work: 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

    ArticleComputational Drug Discovery MethodsJournal of Polymer Research20153 citations
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  2. Additive SMILES-based optimal descriptors in QSAR modelling bee toxicity: Using rare SMILES attributes to define the applicability domain

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    ArticleComputational Drug Discovery MethodsBioorganic & Medicinal Chemistry20081 citations
    ABI

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

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    ArticleComputational Drug Discovery MethodsJournal of Computational Chemistry20091 citations
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  4. QSAR modelling of carcinogenicity by balance of correlations

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    ArticleAdvanced Chemical Sensor TechnologiesMolecular Diversity20091 citations
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  5. QSPR modeling of octanol/water partition coefficient of antineoplastic agents by balance of correlations

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    ArticleComputational Drug Discovery MethodsEuropean Journal of Medicinal Chemistry20101 citations
    ABI

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

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    ArticleComputational Drug Discovery MethodsMolecular Diversity20090 citations
    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

    ArticleComputational Drug Discovery MethodsJournal of Computational Chemistry20090 citations
    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

    ArticleComputational Drug Discovery MethodsEuropean Journal of Medicinal Chemistry20100 citations
    ABI