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43 ta ish

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

  1. Prediction of the glass transition temperature of (meth)acrylic polymers containing phenyl groups by recursive neural network

    ‪Carlo Bertinetto‬, Celia Duce, Alessio Micheli +3

    Maqola20072 iqtibos
    ABI

  2. Comparative QSAR Studies of CYP1A2 Inhibitor Flavonoids Using 2D and 3D Descriptors

    Kunal Roy, Partha Pratim Roy

    Maqola20082 iqtibos
    ABI

  3. Enhancement of the chemical semantic web through the use of InChI identifiers

    Simon J. Coles, Nick Day, Peter Murray‐Rust +2

    Maqola20052 iqtibos
    ABI

  4. QSAR Modeling of Acute Toxicity for Nitrobenzene Derivatives Towards Rats: Comparative Analysis by MLRA and Optimal Descriptors

    Andrey A. Toropov, Bakhtiyor Rasulev, Jerzy Leszczyński

    Maqola20072 iqtibos
    ABI

  5. A Novel RBF Neural Network Training Methodology to Predict Toxicity to Vibrio Fischeri

    Georgia Melagraki, Antreas Afantitis, Haralambos Sarimveis +2

    Maqola20062 iqtibos
    ABI

  6. Comparison of QSPR Models Based on Hydrogen-Filled Graphs and on Graphs of Atomic Orbitals

    Andrey A. Toropov, Alla P. Toropova, İvan Gutman

    MaqolaComputational Drug Discovery MethodsUniversity of Zagreb University Computing Centre (SRCE)20052 iqtibos
    ABI

  7. QSPR modeling of the formation constants for complexes using atomic orbital graphs

    Andrey A. Toropov, Alla P. Toropova

    Maqola20002 iqtibos
    ABI

  8. QSPR modeling of the stability constants of biometal complexes with phosphate derivatives of adenosine

    Andrey A. Toropov, Alla P. Toropova

    Maqola20002 iqtibos
    ABI

  9. Structure-toxicity relationships of nitroaromatic compounds

    Olexandr Isayev, Bakhtiyor Rasulev, Leonid Gorb +1

    MaqolaComputational Drug Discovery MethodsMolecular Diversity20061 iqtibos
    ABI

  10. 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

  11. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  12. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  13. 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

    MaqolaComputational Drug Discovery MethodsJournal of Molecular Structure THEOCHEM20041 iqtibos
    ABI

  14. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  15. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  16. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  17. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  18. Sarlavhasiz

    Boshqa1 iqtibos
    ABI