Selection of an optimal set of descriptors: use of the Enhanced Replacement Method

MERCADER, ANDREW G.

QSPR-QSAR STUDIES ON DESIRED PROPOERTIES FOR DRUG DESIGN

Signpost Design

Lugar: India; Año: 2009;

The Enhanced Replacement Method (ERM) is a search algorithm that selects an optimal group of descriptors from a much greater set in the construction of linear QSAR/QSPR models. This algorithm has shown many superior attributes that will be presented in this chapter. Successful applications will be shown to give a better general picture. Additionally an innovative methodology to determine the optimal number of parameters using the ERM will be presented.