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Journal of Molecular Structure THEOCHEM

5 works

Journal · ISSN 0166-1280

  1. 3D weighting of molecular descriptors for QSPR/QSAR by the method of ideal symmetry (MIS). 1. Application to boiling points of alkanes

    Andrey A. Toropov, Alla P. Toropova, Т. Т. Исмаилов +1

    ArticleComputational Drug Discovery MethodsJournal of Molecular Structure THEOCHEM19984 citations
    ABI

  2. 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

    ArticleComputational Drug Discovery MethodsJournal of Molecular Structure THEOCHEM20041 citations
    ABI

  3. Comparison of QSAR models of anti-HIV-1 potencies based on labeled hydrogen filled graph and graph of atomic orbitals

    Andrey A. Toropov, Alla P. Toropova, I.V. Nesterov +1

    ArticleHIV/AIDS drug development and treatmentJournal of Molecular Structure THEOCHEM20031 citations
    ABI

  4. Calculation of the polarizability vibrational matrix elements from the Raman intensity of the ν1, 2ν2 Fermi diad in CO2

    Р. А. Ахмеджанов, A. K. Atakhodzhaev, M. O. Bulanin

    ArticleSpectroscopy and Laser ApplicationsJournal of Molecular Structure THEOCHEM19820 citations
    ABI

  5. QSAR study of the toxic action of aliphatic compounds to the bacteria Vibrio fisheri based on correlation weighting of local graph invariants

    Eduardo A. Castro, Andrey A. Toropov, A.I. Nesterova +1

    ArticleComputational Drug Discovery MethodsJournal of Molecular Structure THEOCHEM20030 citations
    ABI