Analyzing the triple density molecular quantum similarity measures with the INDSCAL model

Abstract:

This work proposes a statistical interpretation of the Triple Density quantum similarity measures, and studies their simultaneous visualization by means of metric multidimensional scaling methods. The individual differences INDSCAL model is presented as a good mathematical tool to evidence the role of the molecule-operators. Finally, a practical example is discussed using a small set of molecules, consisting of 12 cancer chemotherapeutic agents.

Año de publicación:

1998

Keywords:

Fuente:

scopus