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<dc:title>A modified entropy-based performance criterion for class-modelling with multiple classes</dc:title>
<dc:creator>Valencia García, Olga</dc:creator>
<dc:creator>Ortiz Fernández, Mª Cruz</dc:creator>
<dc:creator>Sánchez Pastor, Mª Sagrario</dc:creator>
<dc:creator>Sarabia Peinador, Luis Antonio</dc:creator>
<dc:subject>Sensitivity</dc:subject>
<dc:subject>Specificity</dc:subject>
<dc:subject>Class-model</dc:subject>
<dc:subject>Type I and Type II errors</dc:subject>
<dc:subject>Entropy</dc:subject>
<dc:subject>Benchmark</dc:subject>
<dc:subject>Química analítica</dc:subject>
<dc:subject>Chemistry, Analytic</dc:subject>
<dc:description>The paper presents a new proposal for a single overall measure, the diagonal modified confusion entropy (DMCEN), to assess the performance of class-models jointly computed for several classes, a versatile index regarding sensitivity and specificity, and that supports class weighting.&#xd;
&#xd;
The characteristics of the proposed figure of merit are illustrated as against other usual performance measures and show how the index is more sensitive to the variations in the class-models than similar published indexes.&#xd;
&#xd;
Besides, a benchmark value representing a random modelling is also defined for DMCEN to be used as initial level to assess the quality of the built class-models.&#xd;
&#xd;
Furthermore, systematic comparisons have been conducted by using the degree of consistency C and the degree of discriminancy D when comparing the proposed DMCEN to the usual total efficiency (a geometric mean between sensitivity and specificity).&#xd;
&#xd;
Simulations show that, for a hundred thousand sensitivity/specificity matrices with four categories, C is almost 0.7 on average, well above the needed 0.5, and there is more than 62% probability that DMCEN detects differences when the total efficiency does not.&#xd;
&#xd;
Illustration of the application of the index is shown with an experimental data set with four categories.</dc:description>
<dc:description>Spanish Ministerio de Ciencia, Innovaci on y Universidades (AEI) and Consejería de Educación de la Junta de Castilla y León through projects CTQ2017-88894-R and BU052P20 respectively (both co-financed with European Regional Development Funds)</dc:description>
<dc:date>2021-10-22T12:28:05Z</dc:date>
<dc:date>2021-10-22T12:28:05Z</dc:date>
<dc:date>2021-10</dc:date>
<dc:type>info:eu-repo/semantics/article</dc:type>
<dc:type>info:eu-repo/semantics/publishedVersion</dc:type>
<dc:identifier>0169-7439</dc:identifier>
<dc:identifier>http://hdl.handle.net/10259/6078</dc:identifier>
<dc:identifier>10.1016/j.chemolab.2021.104423</dc:identifier>
<dc:language>eng</dc:language>
<dc:relation>Chemometrics and Intelligent Laboratory Systems. 2021, V. 217, 104423</dc:relation>
<dc:relation>https://doi.org/10.1016/j.chemolab.2021.104423</dc:relation>
<dc:relation>info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/CTQ2017-88894-R/ES/NUEVAS HERRAMIENTAS QUIMIOMETRICAS CON VARIABLES LATENTES PARA LA TOMA DE DECISIONES EN TECNOLOGIA ANALITICA DE PROCESOS Y EN CONTEXTOS REGULADOS DE SEGURIDAD ALIMENTARIA</dc:relation>
<dc:relation>info:eu-repo/grantAgreement/Junta de Castilla y León//BU052P20//Nuevos desarrollos metodológicos del diseño de experimentos para análisis químicos, bioquímicos y en tecnología analítica de procesos</dc:relation>
<dc:rights>Attribution-NonCommercial-NoDerivatives 4.0 Internacional</dc:rights>
<dc:rights>http://creativecommons.org/licenses/by-nc-nd/4.0/</dc:rights>
<dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
<dc:format>application/pdf</dc:format>
<dc:publisher>Elsevier</dc:publisher>
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