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Topological quantum similarity indices and their use in QSAR: Application to several families of antimalarial compounds

Abstract:

New 3D molecular topological indices are described. From the underlying theoretical foundation, it is revealed the connection between molecular topology and the general theory of Quantum Similarity. Finally, results concerning the establishment of QSAR models, related to five antimalarial molecular families, are presented.

Año de publicación:

2001

Keywords:

    Fuente:

    scopusscopus

    Tipo de documento:

    Article

    Estado:

    Acceso restringido

    Áreas de conocimiento:

    • Relación cuantitativa estructura-actividad

    Áreas temáticas:

    • Química analítica
    • Química inorgánica
    • Farmacología y terapéutica

    Contribuidores:

    Ramón Carbö-D̈orcaRamón Carbö-D̈orca
    Gallegos A.Gallegos A.
    Besalu E.Besalu E.