Skip to main content
AkademIndex

Products

For developers

AkademBaseOpen API for the ecosystem
← Back to work

Works citing this work

10 works

Work: Prediction of Aquatic Toxicity:  Use of Optimization of Correlation Weights of Local Graph Invariants

  1. Comparison of QSPR models of octanol/water partition coefficient for vitamins and non vitamins

    Ivan Raška, Andrey A. Toropov

    ArticleComputational Drug Discovery MethodsEuropean Journal of Medicinal Chemistry20062 citations
    ABI

  2. Prediction of alkane enthalpies by means of correlation weighting of Morgan extended connectivity in molecular graphs

    Andrey A. Toropov, Alla P. Toropova, A.I. Nesterova +1

    ArticleComputational Drug Discovery MethodsChemical Physics Letters20042 citations
    ABI

  3. QSAR of the testosterone binding globulin affinity by means of correlation weighting of local invariants of the graph of atomic orbitals

    Ivan Raška, Andrey A. Toropov

    ArticleMolecular spectroscopy and chiralityBioorganic & Medicinal Chemistry20052 citations
    ABI

  4. 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

    ArticleComputational Drug Discovery MethodsJournal of Molecular Modeling20051 citations
    ABI

  5. 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

  6. QSPR modeling of the half-wave potentials of benzoxazines by optimal descriptors calculated with the SMILES

    Andrey A. Toropov, Karel Nesměrák, Ivan Raška +2

    ArticlePhenothiazines and Benzothiazines Synthesis and ActivitiesComputational Biology and Chemistry20061 citations
    ABI

  7. 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

  8. 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

    ArticleComputational Drug Discovery MethodsQSAR & Combinatorial Science20061 citations
    ABI

  9. QSPR modeling the aqueous solubility of alcohols by optimization of correlation weights of local graph invariants

    Pablo R. Duchowicz, Eduardo A. Castro, Andrey A. Toropov +2

    ArticleComputational Drug Discovery MethodsMolecular Diversity20040 citations
    ABI

  10. QSPR Modeling of Gibbs Free Energy of Organic Compounds by Weighting of Nearest Neighboring Codes

    Eduardo A. Castro, Alla P. Toropova, Andrey A. Toropov +1

    ArticleComputational Drug Discovery MethodsStructural Chemistry20050 citations
    ABI