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Works cited by this work

12 works

Work: Additive SMILES-based optimal descriptors in QSAR modelling bee toxicity: Using rare SMILES attributes to define the applicability domain

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

    David Weininger

    Article198819 citations
    ABI

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

    Andrey A. Toropov, T.W. Schultz

    Article200310 citations
    ABI

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

    David Weininger

    Article19908 citations
    ABI

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

    David Weininger, Arthur Weininger, J. L. Weininger

    Article19897 citations
    ABI

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

    Andrey A. Toropov, Kunal Roy

    ArticleComputational Drug Discovery MethodsJournal of Chemical Information and Computer Sciences20037 citations
    ABI

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

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

    Article20052 citations
    ABI

  7. SMILES as an alternative to the graph in QSAR modelling of bee toxicity

    Andrey A. Toropov, Emilio Benfenati

    Article20072 citations
    ABI

  8. Untitled

    Other1 citations
    ABI

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    Other1 citations
    ABI

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    Other1 citations
    ABI

  11. Untitled

    Other1 citations
    ABI

  12. Untitled

    Other1 citations
    ABI