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Quantum molecular similarity measures and the n-dimensional representation of a molecular set: phenyldimethylthiazines

Abstract:

A general introduction to quantum molecular similarity concepts and the subsidiary graphical techniques, recently developed in our laboratory, is presented first. An example, based on the family of phenyldimethylthiazines follows, and is used to illustrate all the practical aspects previously discussed in the theoretical part. Quantum molecular similarity emerges as a powerful tool for simultaneously representing a set of quantum objects and visualizing their relationships. © 1992.

Año de publicación:

1992

Keywords:

    Fuente:

    scopusscopus

    Tipo de documento:

    Article

    Estado:

    Acceso restringido

    Áreas de conocimiento:

    • Ingeniería química
    • Química teórica

    Áreas temáticas:

    • Química analítica
    • Química y ciencias afines

    Contribuidores:

    Ramón Carbö-D̈orcaRamón Carbö-D̈orca
    Calabuig B.Calabuig B.