A Probabilistic Analysis About the Concepts of Difficulty and Usefulness of a Molecular Ranking Classification

ISSN: 1875-6697 (Online)
ISSN: 1573-4099 (Print)


Volume 10, 4 Issues, 2014


Download PDF Flyer




Current Computer-Aided Drug Design

Aims & ScopeAbstracted/Indexed in

Ranking and Category:
  • 25th of 102 in Computer Science, Interdisciplinary Applications

Submit Abstracts Online Submit Manuscripts Online

Editor-in-Chief:
Subhash C. Basak
Departments of Chemistry, Biochemistry & Molecular Biology University of Minnesota Duluth
Duluth, MN 55811
USA


View Full Editorial Board

Subscribe Purchase Articles Order Reprints

Current: 1.942
5 - Year: 1.885

A Probabilistic Analysis About the Concepts of Difficulty and Usefulness of a Molecular Ranking Classification

Author(s): J. Vicente de Julian-Ortiz, Emili Besalú and Lionello Pogliani

Affiliation: “Unitat d'Investigacio en Disseny de Farmacs i Connectivitat Molecular, Dep. Quimica Física”, Facultat de Farmacia. Universitat de Valencia (Burjassot), Spain.

Abstract

Discerning between the concepts of difficulty and usefulness of a molecular ranking classification is of significant importance in virtual design chemistry. Here, both concepts are viewed from the statistical and practical point of view according to the standard definitions of enrichment and statistical significance p-values. These parameters are useful not only to compare distinct rankings obtained for the same molecular database, but also in order to compare the ones established in distinct molecular sets from an objective point of view.

Keywords: Consensus, drug-like molecules, molecular ranking, recursive modeling.

Purchase Online Rights and Permissions

  
  



Article Details

Volume: 10
Issue Number: 2
First Page: 107
Last Page: 114
Page Count: 8
DOI: 10.2174/1573409910666140410101126
Advertisement

Related Journals




Webmaster Contact: urooj@benthamscience.org Copyright © 2014 Bentham Science