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IMMAN: free software for information theory-based chemometric analysis

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datacite.rightshttp://purl.org/coar/access_right/c_16ec
dc.creatorUrias R.W.P.
dc.creatorBarigye S.J.
dc.creatorMarrero-Ponce Y.
dc.creatorGarcía-Jacas C.R.
dc.creatorValdes-Martiní J.R.
dc.creatorPerez-Gimenez F.
dc.date.accessioned2020-03-26T16:32:46Z
dc.date.available2020-03-26T16:32:46Z
dc.date.issued2015
dc.description.abstractAbstract: The features and theoretical background of a new and free computational program for chemometric analysis denominated IMMAN (acronym for Information theory-based CheMoMetrics ANalysis) are presented. This is multi-platform software developed in the Java programming language, designed with a remarkably user-friendly graphical interface for the computation of a collection of information-theoretic functions adapted for rank-based unsupervised and supervised feature selection tasks. A total of 20 feature selection parameters are presented, with the unsupervised and supervised frameworks represented by 10 approaches in each case. Several information-theoretic parameters traditionally used as molecular descriptors (MDs) are adapted for use as unsupervised rank-based feature selection methods. On the other hand, a generalization scheme for the previously defined differential Shannon’s entropy is discussed, as well as the introduction of Jeffreys information measure for supervised feature selection. Moreover, well-known information-theoretic feature selection parameters, such as information gain, gain ratio, and symmetrical uncertainty are incorporated to the IMMAN software (http://mobiosd-hub.com/imman-soft/), following an equal-interval discretization approach. IMMAN offers data pre-processing functionalities, such as missing values processing, dataset partitioning, and browsing. Moreover, single parameter or ensemble (multi-criteria) ranking options are provided. Consequently, this software is suitable for tasks like dimensionality reduction, feature ranking, as well as comparative diversity analysis of data matrices. Simple examples of applications performed with this program are presented. A comparative study between IMMAN and WEKA feature selection tools using the Arcene dataset was performed, demonstrating similar behavior. In addition, it is revealed that the use of IMMAN unsupervised feature selection methods improves the performance of both IMMAN and WEKA supervised algorithms. © 2015, Springer International Publishing Switzerland.eng
dc.description.sponsorshipConselho Nacional de Desenvolvimento Científico e Tecnológico, CNPq
dc.format.mediumRecurso electrónico
dc.format.mimetypeapplication/pdf
dc.identifier.citationMolecular Diversity; Vol. 19, Núm. 2; pp. 305-319
dc.identifier.doi10.1007/s11030-014-9565-z
dc.identifier.instnameUniversidad Tecnológica de Bolívar
dc.identifier.issn13811991
dc.identifier.orcid56497011800
dc.identifier.orcid55363486500
dc.identifier.orcid55665599200
dc.identifier.orcid56189852800
dc.identifier.orcid56191215400
dc.identifier.orcid6701762262
dc.identifier.reponameRepositorio UTB
dc.identifier.urihttps://hdl.handle.net/20.500.12585/9015
dc.language.isoeng
dc.publisherKluwer Academic Publishers
dc.rights.accessrightsinfo:eu-repo/semantics/restrictedAccess
dc.rights.ccAtribución-NoComercial 4.0 Internacional
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0/
dc.sourcehttps://www.scopus.com/inward/record.uri?eid=2-s2.0-84937517073&doi=10.1007%2fs11030-014-9565-z&partnerID=40&md5=bebd134ed45279902c02db40eaa3b28c
dc.subject.keywordsChemometric analysis
dc.subject.keywordsClassification
dc.subject.keywordsComputational program
dc.subject.keywordsFeature selection
dc.subject.keywordsIMMAN
dc.subject.keywordsInformation-theoretic function
dc.subject.keywordsAlgorithm
dc.subject.keywordsSoftware
dc.subject.keywordsTheoretical model
dc.subject.keywordsAlgorithms
dc.subject.keywordsModels, Theoretical
dc.subject.keywordsSoftware
dc.titleIMMAN: free software for information theory-based chemometric analysis
dc.type.driverinfo:eu-repo/semantics/article
dc.type.hasversioninfo:eu-repo/semantics/publishedVersion
dc.type.spaArtículo
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oaire.resourceTypehttp://purl.org/coar/resource_type/c_6501
oaire.versionhttp://purl.org/coar/version/c_970fb48d4fbd8a85

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