Partial order theory applied to QSPR-QSAR studies.

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.

authors

Duchowicz PR,Castr EA

doi

10.2174/138620708786734316

subject

Has Abstract

pub_date

2008-12-01 00:00:00

pages

783-93

issue

10

eissn

1386-2073

issn

1875-5402

journal_volume

11

pub_type

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