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Works cited by this work

32 works

Work: QSAR modelling of carcinogenicity by balance of correlations

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

    David Weininger

    Article198819 citations
    ABI

  2. Beware of q2!

    Alexander Golbraikh, Alexander Tropsha

    Article200211 citations
    ABI

  3. QSAR modeling of acute toxicity by balance of correlations

    Andrey A. Toropov, Bakhtiyor Rasulev, Jerzy Leszczyński

    Article20089 citations
    ABI

  4. SMILES. 3. DEPICT. Graphical depiction of chemical structures

    David Weininger

    Article19908 citations
    ABI

  5. LINGO, an Efficient Holographic Text Based Method To Calculate Biophysical Properties and Intermolecular Similarities

    David Vidal, Michael Thormann, Miquel Pons

    Article20057 citations
    ABI

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

    David Weininger, Arthur Weininger, J. L. Weininger

    Article19897 citations
    ABI

  7. The Trouble with QSAR (or How I Learned To Stop Worrying and Embrace Fallacy)

    Stephen R. Johnson

    Other20074 citations
    ABI

  8. QSPR modeling of alkanes properties based on graph of atomic orbitals

    Andrey A. Toropov, Alla P. Toropova

    Article20034 citations
    ABI

  9. Optimization of correlation weights of the local graph invariants: Use of the enthalpies of formation of complex compounds for the QSPR modeling

    Andrey A. Toropov, Alla P. Toropova

    Article19984 citations
    ABI

  10. Simplified molecular input line entry system (SMILES) as an alternative for constructing quantitative structure-property relationships (QSPR)

    Andrey A. Toropov, Alla P. Toropova, Dilya V. Mukhamedzhanova +1

    ArticleComputational Drug Discovery MethodsINDIAN JOURNAL OF CHEMISTRY- SECTION A20053 citations
    ABI

  11. Optimisation of correlation weights of SMILES invariants for modelling oral quail toxicity

    Andrey A. Toropov, Emilio Benfenati

    Article20063 citations
    ABI

  12. 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

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

    Andrey A. Toropov, Bakhtiyor Rasulev, Jerzy Leszczyński

    Article20072 citations
    ABI

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

    Andrey A. Toropov, Emilio Benfenati

    Article20062 citations
    ABI

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