Quantum quantitative structure-activity relationships (QQSAR): A comprehensive discussion based on inward matrix products, employed as a tool to find approximate solutions of strictly positive linear systems and providing a QSAR- Quantum similarity measures connection

Abstract:

In this work an approximate way to solve strictly positive linear systems of equations is proposed and studied in connection with the field of quantum QSAR. Along the theoretical development, the inward matrix products (IMP) present a leading role. Applications of the IMP algebraic theory with connections in the field of quantum similarity (QS) naturally appear: Among other general features, a quantum stochastic structure, which can be attached to similarity matrices, can be easily evidenced. Finally, the tight connection of QSAR with QS measures, based on IMP linear system solving is discussed. © ECCOMAS.

Año de publicación:

2000

Keywords:

• Quantum-QSAR
• Density functions
• Quantum similarity measures
• Inward matrix product

Fuente:

scopus