{"id":5644,"date":"2016-05-08T14:58:17","date_gmt":"2016-05-08T13:58:17","guid":{"rendered":"http:\/\/dpubma.univ-annaba.dz\/?p=5644"},"modified":"2016-05-08T15:04:22","modified_gmt":"2016-05-08T14:04:22","slug":"qspr-study-of-the-water-solubility-of-a-diverse-set-of-agrochemicals-hybrid-ga-mlr-approach","status":"publish","type":"post","link":"https:\/\/synthese.univ-annaba.dz\/?p=5644","title":{"rendered":"QSPR Study of the Water Solubility of a Diverse Set of Agrochemicals: Hybrid (GA\/ MLR) Approach"},"content":{"rendered":"<p style=\"text-align: justify;\" align=\"center\"><strong>Num\u00e9ro de la revue<\/strong>:\u00a032<br \/>\n<strong>Auteurs<\/strong>:\u00a0Amel Bouakkadia, Hamza Haddag, Nabil Bouarra, Djelloul Messadi<\/p>\n<p><em>Environmental and Food Safety Laboratory, Badji Mokhtar University, Annaba 23000, Algeria.<\/em><\/p>\n<p>&nbsp;<\/p>\n<p style=\"text-align: right;\"><a href=\"http:\/\/dpubma.univ-annaba.dz\/wp-content\/uploads\/2016\/05\/2-R-10.15.pdf\"><strong>T\u00e9l\u00e9charger l&rsquo;article<img loading=\"lazy\" decoding=\"async\" class=\" wp-image-709 alignright\" style=\"margin-top: -10px; margin-bottom: -10px;\" src=\"\/wp-content\/uploads\/2014\/04\/p2.jpg\" alt=\"p2\" width=\"37\" height=\"35\" srcset=\"https:\/\/synthese.univ-annaba.dz\/wp-content\/uploads\/2014\/04\/p2.jpg 113w, https:\/\/synthese.univ-annaba.dz\/wp-content\/uploads\/2014\/04\/p2-24x24.jpg 24w, https:\/\/synthese.univ-annaba.dz\/wp-content\/uploads\/2014\/04\/p2-48x46.jpg 48w\" sizes=\"auto, (max-width: 37px) 100vw, 37px\" \/><\/strong><\/a><\/p>\n<p><strong>Abstract <\/strong><\/p>\n<p style=\"text-align: justify;\">A quantitative structure- property relationship (QSPR) was performed for the prediction of the aqueous solubility of pesticides belonging to four chemical classes: acid, urea, triazine, and carbamate. The entire set of 77 pesticides was divided into a training set of 58 pesticides and a test set of 19 pesticides according to the Snee technique.\u00a0 A six descriptor model, with squared correlation coefficient (R<sup>2<\/sup>) of 0.8895 and standard error of estimation (s) of 0.52 log unit, was developed by applying multiple linear regression analysis using the ordinary least square regression method and genetic algorithm- variable subset selection. The reliability of the proposed model was further illustrated using various evaluation techniques: leave- one- out cross- validation, bootstrap, randomization tests, and validation through the test set.<\/p>\n<p style=\"text-align: justify;\"><strong>Key Words:<\/strong> <em>pesticides- aqueous solubility- QSPR- molecular descriptors- multiple linear regression.<\/em><\/p>\n<p><strong><em>\u00a0<\/em><\/strong><\/p>\n<p><strong>\u00a0<\/strong><\/p>\n","protected":false},"excerpt":{"rendered":"<p>Num\u00e9ro de la revue:\u00a032 Auteurs:\u00a0Amel Bouakkadia, Hamza Haddag, Nabil Bouarra, Djelloul Messadi Environmental and Food Safety Laboratory, Badji Mokhtar University, Annaba 23000, Algeria. &nbsp; T\u00e9l\u00e9charger l&rsquo;article Abstract A quantitative structure- property relationship (QSPR) was performed for the prediction of the &hellip; <a href=\"https:\/\/synthese.univ-annaba.dz\/?p=5644\">Lire la suite <span class=\"meta-nav\">&raquo;<\/span><\/a><\/p>\n","protected":false},"author":5,"featured_media":0,"comment_status":"closed","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[1],"tags":[],"class_list":["post-5644","post","type-post","status-publish","format-standard","hentry","category-non-classe"],"_links":{"self":[{"href":"https:\/\/synthese.univ-annaba.dz\/index.php?rest_route=\/wp\/v2\/posts\/5644","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/synthese.univ-annaba.dz\/index.php?rest_route=\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/synthese.univ-annaba.dz\/index.php?rest_route=\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/synthese.univ-annaba.dz\/index.php?rest_route=\/wp\/v2\/users\/5"}],"replies":[{"embeddable":true,"href":"https:\/\/synthese.univ-annaba.dz\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=5644"}],"version-history":[{"count":2,"href":"https:\/\/synthese.univ-annaba.dz\/index.php?rest_route=\/wp\/v2\/posts\/5644\/revisions"}],"predecessor-version":[{"id":5647,"href":"https:\/\/synthese.univ-annaba.dz\/index.php?rest_route=\/wp\/v2\/posts\/5644\/revisions\/5647"}],"wp:attachment":[{"href":"https:\/\/synthese.univ-annaba.dz\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=5644"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/synthese.univ-annaba.dz\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=5644"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/synthese.univ-annaba.dz\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=5644"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}