QUANTUM MOLECULAR SIMILARITY MEASURES (QMSM) AS A NATURAL WAY LEADINGTOWARDS A THEORETICAL FOUNDATION OF QUANTITATIVE STRUCTURE-PROPERTIESRELATIONSHIPS (QSPR)

Quantum molecular similarity measures (QMSM) are succinctly described and justified as a tool to obtain ordered patterns within a given set of molecular electronic structures. The nature of QMSM appears also to establish the way leading towards a discrete representation of a give n electronic structure, when using a quantum mechanical framework, in the form of some n-dimensional column vector. As a consequence, quanti tative structure-properties relationships (QSPR) can be considered, in general, to be coincident with a procedure to obtain the discrete app roximate representation vector elements of some unknown operator whose expectation values can be associated with a chosen observed experimen tal property value.