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

Abstract:

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 flat 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.

Año de publicación:

2007

Keywords:

• Quantum Similarity
• Density Riemann 3D spaces
• quantum QSPR
• Similarity matrices

Fuente:

scopus