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

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

Volume: 10 Issue: 2

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

Affiliation:

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

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.

Cite this article as:

Julian-Ortiz Vicente de J., Besalú Emili and Pogliani Lionello, A Probabilistic Analysis About the Concepts of Difficulty and Usefulness of a Molecular Ranking Classification, Current Computer-Aided Drug Design 2014; 10 (2) . https://dx.doi.org/10.2174/1573409910666140410101126