Riemann spaces,molecular density function semispaces,quantum similarity measures and quantum quantitative structure-properties relationships (QQSPR)

摘要

The computational behavior of the molecular properties estimation by means of the fundamental quantum QSPR equation is associated to the possible existence of a quantum density curved Riemann 3-dimensional space,coexisting with the Cartesian space where the atoms are located and embedded into the fiat M-dimensional metric semispace,generated by the density functions of a core molecular set,associated in turn with a set of M known,well-defined molecular structures.