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15 works

Work: QSPR modeling of the half-wave potentials of benzoxazines by optimal descriptors calculated with the SMILES

  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. Topological Indices and Related Descriptors in QSAR and QSPR

    Book20007 citations
    ABI

  4. 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

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