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Work: Total and Local Quadratic Indices of the Molecular Pseudograph's Atom Adjacency Matrix: Applications to the Prediction of Physical Properties of Organic Compounds

  1. New tyrosinase inhibitors selected by atomic linear indices-based classification models

    Gerardo M. Casañola‐Martín, Mahmud Tareq Hassan Khan, Yovani Marrero‐Ponce +3

    ArticleComputational Drug Discovery MethodsBioorganic & Medicinal Chemistry Letters20051 citations
    ABI

  2. Atom‐Based 2D Quadratic Indices in Drug Discovery of Novel Tyrosinase Inhibitors: Results of <i>In Silico</i> Studies Supported by Experimental Results

    Yovani Marrero Ponce, Mahmud Tareq Hassan Khan, Gerardo M. Casañola‐Martín +5

    ArticleComputational Drug Discovery MethodsQSAR & Combinatorial Science20061 citations
    ABI

  3. Prediction of Tyrosinase Inhibition Activity Using Atom‐Based Bilinear Indices

    Yovani Marrero‐Ponce, Mahmud Tareq Hassan Khan, Gerardo M. Casañola‐Martín +4

    ArticleComputational Drug Discovery MethodsChemMedChem20070 citations
    ABI

  4. Bond-based 2D TOMOCOMD-CARDD approach for drug discovery: aiding decision-making in ‘in silico’ selection of new lead tyrosinase inhibitors

    Yovani Marrero‐Ponce, Mahmud Tareq Hassan Khan, Gerardo M. Casañola‐Martín +5

    ArticleComputational Drug Discovery MethodsJournal of Computer-Aided Molecular Design20070 citations
    ABI