Generic placeholder image

Combinatorial Chemistry & High Throughput Screening

Editor-in-Chief

ISSN (Print): 1386-2073
ISSN (Online): 1875-5402

Partial Order Theory Applied to QSPR-QSAR Studies

Author(s): Pablo R. Duchowicz and Eduardo A. Castro

Volume 11, Issue 10, 2008

Page: [783 - 793] Pages: 11

DOI: 10.2174/138620708786734316

Price: $65

Abstract

There exists a great amount of information on ranking methods provided in the literature, a new appealing methodology that is generally dealt in a so mathematical fashion. Ranking strategies are applied in a wide range of scientific fields, such as Decision Support, Toxicology, Environmental Research, Analytical Chemistry, Food Chemistry, QSPR-QSAR, etc. When contrasted to other multi-criteria data analyzes, Partial Order Ranking results in a very transparent and suitable way to perform comparisons among a set of objects (such as molecules) according to their attributes (molecular descriptors) values. The scope of this review is to explore such sorting ideas and to provide the non-specialist reader with insights into this formalism applied to QSPR-QSAR studies. Several concepts are explained, revising some of the research developed by different experts on the topic.

Keywords: QSPR-QSAR theory, partial order ranking, molecular descriptors, hasse diagram technique, genetic algorithms


Rights & Permissions Print Cite
© 2024 Bentham Science Publishers | Privacy Policy