{"id":14,"date":"2013-01-11T00:39:33","date_gmt":"2013-01-11T00:39:33","guid":{"rendered":"http:\/\/ufla.br\/chemoface\/?page_id=14"},"modified":"2021-09-14T19:27:30","modified_gmt":"2021-09-14T19:27:30","slug":"14-2","status":"publish","type":"page","link":"https:\/\/www.ufla.br\/chemoface\/","title":{"rendered":"Features"},"content":{"rendered":"<table border=\"0\" width=\"645\" cellspacing=\"0\" cellpadding=\"0\">\n<tbody>\n<tr>\n<td valign=\"top\" width=\"42%\"><strong>DESIGN OF EXPERIMENTS<\/strong><br \/>\nFull factorial<br \/>\nFractional factorial<br \/>\nCentral composite<br \/>\nPlackett-Burman<br \/>\nMixture design<br \/>\nDesirability Function<\/p>\n<p><strong>PATTERN RECOGNITION<\/strong><br \/>\nPCA<br \/>\nHCA<br \/>\nPCA\/HCA<\/p>\n<p><strong>MULTIVARIATE CALIBRATION<\/strong><br \/>\nMLR<br \/>\nPCR<br \/>\nPLS<\/p>\n<p><strong>CLASSIFICATION<\/strong><br \/>\nLDA<br \/>\nPCR-DA<br \/>\nPLS-DA<\/td>\n<td valign=\"top\" width=\"58%\"><strong>TOOLS<\/strong><br \/>\nLeave-one-out cross-validation\u200e<br \/>\nTest set selection<br \/>\nData plot<br \/>\nBuild dataset from .bmp molecules for MIA-QSAR<br \/>\nVariable Importance in Projection (VIP)<\/p>\n<p><strong>PRE-PROCESSING<\/strong><br \/>\nMean center<br \/>\nAutoscale<br \/>\nSmoothing\/derivative<br \/>\nNormalization<br \/>\nMultiplicative scatter correction<br \/>\nSpectral (absorbance\/transmittance)<br \/>\nStandard Normal Variate<\/p>\n<p><strong>IMPORT DATA<\/strong><br \/>\n.txt<br \/>\n.dat<br \/>\n.csv<br \/>\n.bmp<strong>\u00a0<\/strong><\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n","protected":false},"excerpt":{"rendered":"<p>DESIGN OF EXPERIMENTS Full factorial Fractional factorial Central composite Plackett-Burman Mixture design Desirability Function PATTERN RECOGNITION PCA HCA PCA\/HCA MULTIVARIATE CALIBRATION MLR PCR PLS CLASSIFICATION LDA PCR-DA PLS-DA TOOLS Leave-one-out cross-validation\u200e Test set selection Data plot Build dataset from .bmp &hellip; <a href=\"https:\/\/www.ufla.br\/chemoface\/\">Continue lendo <span class=\"meta-nav\">&rarr;<\/span><\/a><\/p>\n","protected":false},"author":2,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"sidebar-page.php","meta":[],"_links":{"self":[{"href":"https:\/\/www.ufla.br\/chemoface\/index.php?rest_route=\/wp\/v2\/pages\/14"}],"collection":[{"href":"https:\/\/www.ufla.br\/chemoface\/index.php?rest_route=\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/www.ufla.br\/chemoface\/index.php?rest_route=\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/www.ufla.br\/chemoface\/index.php?rest_route=\/wp\/v2\/users\/2"}],"replies":[{"embeddable":true,"href":"https:\/\/www.ufla.br\/chemoface\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=14"}],"version-history":[{"count":40,"href":"https:\/\/www.ufla.br\/chemoface\/index.php?rest_route=\/wp\/v2\/pages\/14\/revisions"}],"predecessor-version":[{"id":178,"href":"https:\/\/www.ufla.br\/chemoface\/index.php?rest_route=\/wp\/v2\/pages\/14\/revisions\/178"}],"wp:attachment":[{"href":"https:\/\/www.ufla.br\/chemoface\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=14"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}