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Emilio Benfenati

10 works

Istituto Di Ricerche Farmacologiche, Mario Negri

  1. SMILES in QSPR/QSAR Modeling: Results and Perspectives

    Andrey A. Toropov, Emilio Benfenati

    ArticleComputational Drug Discovery MethodsCurrent Drug Discovery Technologies20073 citations
    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

    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

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

    ArticleComputational Drug Discovery MethodsJournal of Computational Chemistry20091 citations
    ABI

  4. QSAR modelling of carcinogenicity by balance of correlations

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

    ArticleAdvanced Chemical Sensor TechnologiesMolecular Diversity20091 citations
    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

    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

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

    ArticleComputational Drug Discovery MethodsMolecular Diversity20090 citations
    ABI

  7. QSAR modelling of the toxicity to Tetrahymena pyriformis by balance of correlations

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

    ArticleComputational Drug Discovery MethodsMolecular Diversity20090 citations
    ABI

  8. 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

  9. 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

  10. Simulation peptide toxicity using the fragments of local symmetry in amino acid sequences

    Andrey A. Toropov, Alla P. Toropova, В. О. Кудышкин +3

    ArticleFractal and DNA sequence analysisBiosystems20250 citations
    ABI