{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,11,4]],"date-time":"2025-11-04T23:30:16Z","timestamp":1762299016409},"reference-count":65,"publisher":"World Scientific Pub Co Pte Lt","issue":"09","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Int. J. Neur. Syst."],"published-print":{"date-parts":[[2019,11]]},"abstract":"<jats:p>Molecular descriptor selection is an essential procedure to improve a predictive quantitative structure\u2013activity relationship (QSAR) model. However, within the QSAR model, there are a number of redundant, noisy and irrelevant descriptors. In this study, we propose a novel descriptor selection framework using self-paced learning (SPL) via sparse logistic regression (LR) with Logsum penalty (SPL-Logsum), which can simultaneously adaptively identify the simple and complex samples and avoid over-fitting. SPL is inspired by the learning process of humans or animals gradually learned from simple and complex samples to train models, and the Logsum penalized LR helps to select a small subset of significant molecular descriptors for improving the QSAR models. Experimental results on some simulations and three public QSAR datasets show that our proposed SPL-Logsum framework outperforms other existing sparse methods regarding the area under the curve, sensitivity, specificity, accuracy, and [Formula: see text]-values.<\/jats:p>","DOI":"10.1142\/s0129065719500163","type":"journal-article","created":{"date-parts":[[2019,5,12]],"date-time":"2019-05-12T22:30:13Z","timestamp":1557700213000},"page":"1950016","source":"Crossref","is-referenced-by-count":14,"title":["Descriptor Selection Improvements for Quantitative Structure-Activity Relationships"],"prefix":"10.1142","volume":"29","author":[{"given":"Liang-Yong","family":"Xia","sequence":"first","affiliation":[{"name":"Faculty of Information Technology, Macau University of Science and Technology, Macau, P. R. China"}]},{"given":"Qing-Yong","family":"Wang","sequence":"additional","affiliation":[{"name":"Science and Technology on Information Systems Engineering Laboratory, National University of Defense Technology, Changsha, P. R. China"}]},{"given":"Zehong","family":"Cao","sequence":"additional","affiliation":[{"name":"Discipline of ICT, School of Technology, Environments and Design, College of Sciences and Engineering, University of Tasmania, TAS, Australia"}]},{"given":"Yong","family":"Liang","sequence":"additional","affiliation":[{"name":"University of Science and Technology, Macau, P. R. China"}]}],"member":"219","published-online":{"date-parts":[[2019,10,28]]},"reference":[{"key":"S0129065719500163BIB001","doi-asserted-by":"publisher","DOI":"10.1021\/cr900238d"},{"key":"S0129065719500163BIB002","doi-asserted-by":"publisher","DOI":"10.1021\/cr3004339"},{"key":"S0129065719500163BIB003","doi-asserted-by":"publisher","DOI":"10.1016\/j.bspc.2014.04.001"},{"key":"S0129065719500163BIB004","doi-asserted-by":"publisher","DOI":"10.1109\/TFUZZ.2017.2717381"},{"key":"S0129065719500163BIB005","first-page":"545","volume":"17","author":"Guyon I.","year":"2005","journal-title":"Adv. Neural Inf. Process. Syst."},{"key":"S0129065719500163BIB006","doi-asserted-by":"publisher","DOI":"10.1136\/bmj.e4483"},{"key":"S0129065719500163BIB008","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1106861108"},{"issue":"6","key":"S0129065719500163BIB009","first-page":"1","volume":"1","author":"Beniwal S.","year":"2012","journal-title":"Int. J. Eng. Res. Technol. (IJERT)"},{"key":"S0129065719500163BIB010","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btm344"},{"key":"S0129065719500163BIB011","doi-asserted-by":"publisher","DOI":"10.1021\/ci000384c"},{"issue":"7","key":"S0129065719500163BIB012","first-page":"13","volume":"1","author":"Karegowda A. G.","year":"2010","journal-title":"Int. J. Comput. Appl."},{"key":"S0129065719500163BIB013","doi-asserted-by":"publisher","DOI":"10.1109\/TSMCB.2002.804363"},{"key":"S0129065719500163BIB014","doi-asserted-by":"publisher","DOI":"10.1109\/TBME.2016.2585114"},{"issue":"99","key":"S0129065719500163BIB015","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1109\/TCYB.2018.2884762","volume":"49","author":"Ding W.","year":"2018","journal-title":"IEEE Trans. Cybernet."},{"key":"S0129065719500163BIB016","doi-asserted-by":"publisher","DOI":"10.1021\/ci025661p"},{"key":"S0129065719500163BIB017","doi-asserted-by":"publisher","DOI":"10.1016\/j.neunet.2009.04.003"},{"key":"S0129065719500163BIB018","doi-asserted-by":"publisher","DOI":"10.3233\/ICA-2007-14301"},{"key":"S0129065719500163BIB019","doi-asserted-by":"publisher","DOI":"10.1142\/S0129065717500150"},{"key":"S0129065719500163BIB020","doi-asserted-by":"publisher","DOI":"10.1142\/S0129065717500174"},{"key":"S0129065719500163BIB021","doi-asserted-by":"publisher","DOI":"10.1142\/S0129065717500587"},{"key":"S0129065719500163BIB022","doi-asserted-by":"publisher","DOI":"10.1142\/S0129065718500132"},{"key":"S0129065719500163BIB023","doi-asserted-by":"publisher","DOI":"10.1142\/S012906571850020X"},{"key":"S0129065719500163BIB024","doi-asserted-by":"publisher","DOI":"10.1142\/S0129065714400061"},{"key":"S0129065719500163BIB025","doi-asserted-by":"publisher","DOI":"10.1007\/978-3-540-35488-8_6"},{"key":"S0129065719500163BIB026","volume-title":"Learning with Kernels: Support Vector Machines, Regularization, Optimization, and Beyond","author":"Sch\u00f6lkopf B.","year":"2002"},{"key":"S0129065719500163BIB027","doi-asserted-by":"publisher","DOI":"10.1007\/s00041-008-9045-x"},{"key":"S0129065719500163BIB028","doi-asserted-by":"publisher","DOI":"10.1109\/TBME.2006.886855"},{"key":"S0129065719500163BIB029","doi-asserted-by":"publisher","DOI":"10.1142\/S0129065715500355"},{"key":"S0129065719500163BIB030","doi-asserted-by":"publisher","DOI":"10.1142\/S0129065716500325"},{"key":"S0129065719500163BIB031","doi-asserted-by":"publisher","DOI":"10.1111\/j.1467-9868.2005.00503.x"},{"key":"S0129065719500163BIB032","doi-asserted-by":"publisher","DOI":"10.1007\/s11432-010-0090-0"},{"key":"S0129065719500163BIB033","doi-asserted-by":"publisher","DOI":"10.1198\/016214501753382273"},{"key":"S0129065719500163BIB034","doi-asserted-by":"publisher","DOI":"10.1214\/09-AOS729"},{"key":"S0129065719500163BIB035","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0149675"},{"key":"S0129065719500163BIB036","doi-asserted-by":"publisher","DOI":"10.1016\/j.chroma.2015.05.025"},{"key":"S0129065719500163BIB037","doi-asserted-by":"publisher","DOI":"10.1016\/j.chemolab.2010.08.018"},{"key":"S0129065719500163BIB038","doi-asserted-by":"publisher","DOI":"10.1039\/C6EM00679E"},{"key":"S0129065719500163BIB039","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btg308"},{"key":"S0129065719500163BIB040","doi-asserted-by":"publisher","DOI":"10.1186\/1471-2105-14-198"},{"issue":"1","key":"S0129065719500163BIB041","first-page":"111","volume":"1","author":"Gong T.","year":"2016","journal-title":"Am. Inst. Math. Sci. Big Data Inf. Anal."},{"key":"S0129065719500163BIB042","first-page":"1189","volume":"23","author":"Kumar M. P.","year":"2010","journal-title":"Adv. Neural Inf. Process. Syst."},{"key":"S0129065719500163BIB043","first-page":"2078","volume":"27","author":"Jiang L.","year":"2014","journal-title":"Adv. Neural Inf. Process. Syst."},{"key":"S0129065719500163BIB045","doi-asserted-by":"publisher","DOI":"10.1145\/1553374.1553380"},{"key":"S0129065719500163BIB046","doi-asserted-by":"publisher","DOI":"10.3390\/ijms19010030"},{"key":"S0129065719500163BIB047","doi-asserted-by":"publisher","DOI":"10.18637\/jss.v033.i01"},{"key":"S0129065719500163BIB048","doi-asserted-by":"publisher","DOI":"10.1142\/S0129065717500423"},{"key":"S0129065719500163BIB049","doi-asserted-by":"publisher","DOI":"10.1142\/S0129065716500234"},{"issue":"5","key":"S0129065719500163BIB050","first-page":"6","volume":"2","author":"Jiang L.","year":"2015","journal-title":"AAAI"},{"key":"S0129065719500163BIB051","doi-asserted-by":"publisher","DOI":"10.1186\/1471-2164-14-S8-S7"},{"key":"S0129065719500163BIB052","doi-asserted-by":"publisher","DOI":"10.1016\/S1093-3263(01)00123-1"},{"key":"S0129065719500163BIB057","doi-asserted-by":"publisher","DOI":"10.3233\/ICA-180560"},{"key":"S0129065719500163BIB058","doi-asserted-by":"publisher","DOI":"10.1111\/mice.12313"},{"key":"S0129065719500163BIB059","doi-asserted-by":"publisher","DOI":"10.1142\/S0129065716500398"},{"key":"S0129065719500163BIB060","doi-asserted-by":"publisher","DOI":"10.1142\/S0129065718500090"},{"key":"S0129065719500163BIB061","doi-asserted-by":"publisher","DOI":"10.3233\/ICA-170551"},{"key":"S0129065719500163BIB062","doi-asserted-by":"publisher","DOI":"10.3233\/ICA-170538"},{"key":"S0129065719500163BIB063","doi-asserted-by":"publisher","DOI":"10.3233\/ICA-180577"},{"key":"S0129065719500163BIB064","doi-asserted-by":"publisher","DOI":"10.3233\/ICA-180580"},{"key":"S0129065719500163BIB065","doi-asserted-by":"publisher","DOI":"10.1111\/mice.12297"},{"key":"S0129065719500163BIB066","doi-asserted-by":"publisher","DOI":"10.1016\/j.engstruct.2017.10.070"},{"key":"S0129065719500163BIB067","doi-asserted-by":"publisher","DOI":"10.1002\/tal.1400"},{"key":"S0129065719500163BIB068","doi-asserted-by":"publisher","DOI":"10.1111\/mice.12367"},{"key":"S0129065719500163BIB069","doi-asserted-by":"publisher","DOI":"10.1111\/mice.12376"},{"key":"S0129065719500163BIB070","doi-asserted-by":"publisher","DOI":"10.1111\/mice.12412"},{"key":"S0129065719500163BIB071","doi-asserted-by":"publisher","DOI":"10.14359\/51689560"}],"container-title":["International Journal of Neural Systems"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.worldscientific.com\/doi\/pdf\/10.1142\/S0129065719500163","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2019,11,24]],"date-time":"2019-11-24T22:54:54Z","timestamp":1574636094000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.worldscientific.com\/doi\/abs\/10.1142\/S0129065719500163"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2019,10,28]]},"references-count":65,"journal-issue":{"issue":"09","published-print":{"date-parts":[[2019,11]]}},"alternative-id":["10.1142\/S0129065719500163"],"URL":"https:\/\/doi.org\/10.1142\/s0129065719500163","relation":{},"ISSN":["0129-0657","1793-6462"],"issn-type":[{"value":"0129-0657","type":"print"},{"value":"1793-6462","type":"electronic"}],"subject":[],"published":{"date-parts":[[2019,10,28]]}}}