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Ish: 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

  1. SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules

    David Weininger

    Maqola198819 iqtibos
    ABI

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

    Andrey A. Toropov, T.W. Schultz

    Maqola200310 iqtibos
    ABI

  3. Resolution of ambiguities in structure-property studies by use of orthogonal descriptors

    Milan Randić

    Maqola19918 iqtibos
    ABI

  4. Improved QSPR analysis of standard entropy of acyclic and aromatic compounds using optimized correlation weights of linear graph invariants

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

    Maqola20028 iqtibos
    ABI

  5. QSPR modeling of the enthalpy of formation from elements by means of correlation weighting of local invariants of atomic orbital molecular graphs

    Andrés Mercader, Eduardo A. Castro, Andrey A. Toropov

    Maqola20008 iqtibos
    ABI

  6. SMILES. 2. Algorithm for generation of unique SMILES notation

    David Weininger, Arthur Weininger, J. L. Weininger

    Maqola19897 iqtibos
    ABI

  7. QSPR Modeling of Lipid-Water Partition Coefficient by Optimization of Correlation Weights of Local Graph Invariants

    Andrey A. Toropov, Kunal Roy

    MaqolaComputational Drug Discovery MethodsJournal of Chemical Information and Computer Sciences20037 iqtibos
    ABI

  8. Improved molecular descriptors to calculate boiling points based on the optimization of correlation weights of local graph invariants

    Germán Krenkel

    Maqola20017 iqtibos
    ABI

  9. Improved Molecular Descriptors Based on the Optimization of Correlation Weights of Local Graph Invariants

    Germán Krenkel, Eduardo A. Castro, Andrey A. Toropov

    Maqola20017 iqtibos
    ABI

  10. Calculation of total molecular electronic energies from Correlation Weighting of Local Graph Invariants

    Andrés Mercader, Eduardo A. Castro, Andrey A. Toropov

    Maqola19996 iqtibos
    ABI

  11. Structure–Toxicity Relationships for Aliphatic Compounds Based on Correlation Weighting of Local Graph Invariants

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

    Maqola20036 iqtibos
    ABI

  12. Statistical Validation of QSAR Results

    Svante Wold, Lennart Eriksson, Sérgio Clementi

    Boshqa19955 iqtibos
    ABI

  13. Novel graph theoretical approach to heteroatoms in quantitative structure—activity relationships

    Milan Randić

    Maqola19915 iqtibos
    ABI

  14. On computation of optimal parameters for multivariate analysis of structure‐property relationship

    Milan Randić

    Maqola19915 iqtibos
    ABI

  15. Optimal Molecular Descriptors Based on Weighted Path Numbers

    Milan Randić, Subhash C. Basak

    Maqola19994 iqtibos
    ABI

  16. Quantitative structure-property relationships for binary polymer-solvent systems: Correlation weighing of the local invariants of molecular graphs

    Andrey A. Toropov, Н. Л. Воропаева, I. N. Ruban +1

    MaqolaChemical Thermodynamics and Molecular Structure19994 iqtibos
    ABI

  17. QSAR modelling of aldehyde toxicity against a protozoan, Tetrahymena pyriformis by optimization of correlation weights of nearest neighboring codes

    Andrey A. Toropov, Emilio Benfenati

    Maqola20043 iqtibos
    ABI

  18. QSAR modelling of aldehyde toxicity by means of optimisation of correlation weights of nearest neighbouring codes

    Andrey A. Toropov, Emilio Benfenati

    Maqola20043 iqtibos
    ABI

  19. The Vertex-Connectivity Index Revisited

    Dragan Amić, Drago Bešlo, Bono Lučić +2

    Maqola19983 iqtibos
    ABI

  20. Graph Theoretical Invariant of Randic Revisited

    Ernesto Estrada

    Maqola19952 iqtibos
    ABI

  21. Similarity based on extended basis descriptors

    Milan Randić

    Maqola19922 iqtibos
    ABI

  22. Correlation weighting of valence shells in QSAR analysis of toxicity

    Andrey A. Toropov, Emilio Benfenati

    Maqola20062 iqtibos
    ABI

  23. 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

    MaqolaMolecular spectroscopy and chiralityBioorganic & Medicinal Chemistry20052 iqtibos
    ABI

  24. 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

    MaqolaComputational Drug Discovery MethodsJournal of Molecular Modeling20051 iqtibos
    ABI

  25. Sarlavhasiz

    Boshqa1 iqtibos
    ABI