A quantum similarity matrix (QSM) Aufbau procedure

Abstract:

An Aufbau recursive algorithm, leading to the construction of molecular Quantum similarity matrices (QSM) with positive definite structure is described. As a consequence, Molecular Quantum Similarity measures optimization has to be restricted by a recursive constraint, related to the Euclidian norm of the QSM column elements in Quantum Object density tag reciprocal space. © 2007 Springer Science+Business Media, LLC.

Año de publicación:

2008

Keywords:

• Quantum similarity Aufbau condition
• Quantum similarity matrices
• Quantum Similarity
• Quantum similarity matrices Aufbau recursive construction

Fuente:

scopus