{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,2,21]],"date-time":"2025-02-21T12:50:56Z","timestamp":1740142256657,"version":"3.37.3"},"reference-count":39,"publisher":"American Chemical Society (ACS)","issue":"5","funder":[{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["21572270"],"award-info":[{"award-number":["21572270"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100002949","name":"Jiangsu Province","doi-asserted-by":"crossref","id":[{"id":"10.13039\/501100002949","id-type":"DOI","asserted-by":"crossref"}]},{"DOI":"10.13039\/501100012246","name":"Priority Academic Program Development of Jiangsu Higher Education Institutions","doi-asserted-by":"crossref","id":[{"id":"10.13039\/501100012246","id-type":"DOI","asserted-by":"crossref"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2017,5,22]]},"DOI":"10.1021\/acs.jcim.7b00029","type":"journal-article","created":{"date-parts":[[2017,4,18]],"date-time":"2017-04-18T21:41:01Z","timestamp":1492551661000},"page":"1055-1067","source":"Crossref","is-referenced-by-count":2,"title":["PV<sub>LOO<\/sub>-Based Training Set Selection Improves the External Predictability of QSAR\/QSPR Models"],"prefix":"10.1021","volume":"57","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-4397-4695","authenticated-orcid":true,"given":"Ying","family":"Dong","sequence":"first","affiliation":[{"name":"Department\rof Organic Chemistry, College of Science, China Pharmaceutical University, 639 Longmian Avenue, Nanjing 211198, P. R. China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Bingren","family":"Xiang","sequence":"additional","affiliation":[{"name":"Institute\rof Pharmaceutical Science, China Pharmaceutical University, 24 Tongjiaxiang, Nanjing 210009, P. R. China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4615-5433","authenticated-orcid":true,"given":"Ding","family":"Du","sequence":"additional","affiliation":[{"name":"Department\rof Organic Chemistry, College of Science, China Pharmaceutical University, 639 Longmian Avenue, Nanjing 211198, P. R. China"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2017,4,27]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1002\/qsar.200610151"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-014-0047-1"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1016\/j.chemolab.2016.10.009"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1080\/00401706.1969.10490666"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1016\/S0169-7439(97)00030-0"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1080\/00401706.1974.10489175"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1016\/S1093-3263(98)00008-4"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1021\/ci025554v"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1002\/qsar.200510161"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1023\/A:1025386326946"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1023\/A:1021372108686"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1016\/0169-7439(95)00077-1"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1021\/ci300338w"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1007\/s11224-011-9757-4"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1021\/ci0500132"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1021\/ci020280x"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1021\/jm0497141"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1007\/BF01718702"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/bth261"},{"first-page":"359","volume-title":"Proceedings of the 17th International Conference on Machine Learning","author":"Hall M. A.","key":"ref20\/cit20"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1016\/S0004-3702(03)00079-1"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1016\/S0004-3702(97)00043-X"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.6b00291"},{"key":"ref24\/cit24","first-page":"7","volume-title":"Adaptive Computation and Machine Learning","author":"Rasmussen C. E.","year":"2006"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1016\/j.isatra.2007.04.001"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1109\/72.788641"},{"key":"ref27\/cit27","first-page":"1175","volume":"14","author":"Vanhatalo J.","year":"2013","journal-title":"J. Mach. Learn. Res."},{"key":"ref28\/cit28","unstructured":"DTC Lab Software Tools.http:\/\/teqip.jdvu.ac.in\/QSAR_Tools\/(accessed March 2, 2017) ."},{"key":"ref29\/cit29","volume-title":"Data Mining: Practical Machine Learning Tools and Techniques","author":"Witten I. H.","year":"2011","edition":"3"},{"key":"ref30\/cit30","volume-title":"Data Mining: Practical Machine Learning Tools and Techniques","author":"Witten I. H.","year":"2016","edition":"4"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1109\/72.870050"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1023\/B:STCO.0000035301.49549.88"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1007\/BF00153759"},{"key":"ref34\/cit34","first-page":"108","volume-title":"Proceedings of the 12th International Conference on Machine Learning","author":"Cleary J. G.","year":"1995"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1007\/BF00058655"},{"key":"ref36\/cit36","first-page":"343","volume-title":"Proceedings of the 5th Australian Joint Conference on Artificial Intelligence","author":"Quinlan R. J.","year":"1992"},{"key":"ref37\/cit37","unstructured":"Wang, Y.; Witten, I. H.Induction of Model Trees for Predicting Continuous Classes, 1996. Department of Computer Science, University of Waikato.http:\/\/researchcommons.waikato.ac.nz\/handle\/10289\/1183(accessed March 2, 2017) ."},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1016\/j.chemolab.2007.07.004"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1021\/ci400737s"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.7b00029","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,22]],"date-time":"2023-04-22T21:00:50Z","timestamp":1682197250000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.7b00029"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2017,4,27]]},"references-count":39,"journal-issue":{"issue":"5","published-print":{"date-parts":[[2017,5,22]]}},"alternative-id":["10.1021\/acs.jcim.7b00029"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.7b00029","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"type":"print","value":"1549-9596"},{"type":"electronic","value":"1549-960X"}],"subject":[],"published":{"date-parts":[[2017,4,27]]}}}