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Analyzing the triple density molecular quantum similarity measures with the INDSCAL model

Abstract:

This work proposes a statistical interpretation of the Triple Density quantum similarity measures, and studies their simultaneous visualization by means of metric multidimensional scaling methods. The individual differences INDSCAL model is presented as a good mathematical tool to evidence the role of the molecule-operators. Finally, a practical example is discussed using a small set of molecules, consisting of 12 cancer chemotherapeutic agents.

Año de publicación:

1998

Keywords:

    Fuente:

    scopusscopus

    Tipo de documento:

    Article

    Estado:

    Acceso restringido

    Áreas de conocimiento:

    • Química teórica
    • Optimización matemática

    Áreas temáticas:

    • Química física
    • Publicidad y relaciones públicas
    • Escultura hasta aprox. 500

    Contribuidores:

    Ramón Carbö-D̈orcaRamón Carbö-D̈orca
    Robert D.Robert D.