{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,6,16]],"date-time":"2026-06-16T23:30:22Z","timestamp":1781652622970,"version":"3.54.5"},"reference-count":30,"publisher":"Wiley","issue":"2","license":[{"start":{"date-parts":[[2012,12,20]],"date-time":"2012-12-20T00:00:00Z","timestamp":1355961600000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Archiv der Pharmazie"],"published-print":{"date-parts":[[2013,2]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p>The activity of 72 1,4\u2010dihydropyridines as calcium channel antagonists was examined. The simplified molecular input\u2010line entry system (SMILES) was used as representation of the molecular structure of the calcium channel antagonists. Quantitative structure\u2013activity relationships (QSARs) were developed using CORAL software (<jats:ext-link xmlns:xlink=\"http:\/\/www.w3.org\/1999\/xlink\" xlink:href=\"http:\/\/www.insilico.eu\/CORAL\">http:\/\/www.insilico.eu\/CORAL<\/jats:ext-link>) for four random splits of the data into the training and test sets. Using the Monte Carlo method, the CORAL software generated the optimal descriptors for one\u2010variable models. The reproducibility of each model was tested performing three runs of the Monte Carlo optimization. The obtained results reveal good predictive potential of the applied approach: The correlation coefficients (<jats:italic>r<\/jats:italic><jats:sup>2<\/jats:sup>) for the test sets of the four random splits are 0.9571, 0.9644, 0.9836, and 0.9444.<\/jats:p>","DOI":"10.1002\/ardp.201200373","type":"journal-article","created":{"date-parts":[[2012,12,21]],"date-time":"2012-12-21T23:18:59Z","timestamp":1356131939000},"page":"134-139","source":"Crossref","is-referenced-by-count":30,"title":["SMILES\u2010Based QSAR Models for the Calcium Channel\u2010Antagonistic Effect of 1,4\u2010Dihydropyridines"],"prefix":"10.1002","volume":"346","author":[{"given":"Aleksandar M.","family":"Veselinovi\u0107","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jovana B.","family":"Milosavljevi\u0107","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Andrey A.","family":"Toropov","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Goran M.","family":"Nikoli\u0107","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2012,12,20]]},"reference":[{"key":"e_1_2_6_2_2","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.94.26.14906"},{"key":"e_1_2_6_3_2","doi-asserted-by":"publisher","DOI":"10.1159\/000016320"},{"key":"e_1_2_6_4_2","doi-asserted-by":"publisher","DOI":"10.1016\/S0165-6147(98)01171-7"},{"key":"e_1_2_6_5_2","doi-asserted-by":"publisher","DOI":"10.1002\/med.2610090203"},{"key":"e_1_2_6_6_2","doi-asserted-by":"publisher","DOI":"10.1021\/cr9400976"},{"key":"e_1_2_6_7_2","doi-asserted-by":"publisher","DOI":"10.1021\/jm00119a009"},{"key":"e_1_2_6_8_2","doi-asserted-by":"publisher","DOI":"10.1002\/jps.2600830809"},{"key":"e_1_2_6_9_2","doi-asserted-by":"publisher","DOI":"10.1021\/ci000072"},{"key":"e_1_2_6_10_2","doi-asserted-by":"publisher","DOI":"10.1021\/mp050027v"},{"key":"e_1_2_6_11_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmc.2006.03.019"},{"key":"e_1_2_6_12_2","doi-asserted-by":"publisher","DOI":"10.1016\/S0169-7439(02)00068-0"},{"key":"e_1_2_6_13_2","doi-asserted-by":"publisher","DOI":"10.1007\/s00894-011-1024-5"},{"key":"e_1_2_6_14_2","doi-asserted-by":"publisher","DOI":"10.1002\/9783527613106"},{"key":"e_1_2_6_15_2","doi-asserted-by":"crossref","first-page":"7944","DOI":"10.1016\/j.bmc.2008.07.067","volume":"16","author":"Duchowicz P. 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