6533b836fe1ef96bd12a14d1
RESEARCH PRODUCT
A Probabilistic Analysis About the Concepts of Difficulty and Usefulness of a Molecular Ranking Classification
Emili BesalúJ. Vicente De Julián-ortizLionello Poglianisubject
Models StatisticalPoint (typography)Computer sciencebusiness.industryGeneral MedicineMachine learningcomputer.software_genrePharmaceutical PreparationsRankingDrug DesignDrug DiscoveryComputer-Aided DesignMolecular MedicineProbabilistic analysis of algorithmsArtificial intelligencebusinesscomputerAlgorithmsdescription
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.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2013-09-12 | Current Computer Aided-Drug Design |