{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,21]],"date-time":"2026-03-21T22:01:12Z","timestamp":1774130472495,"version":"3.50.1"},"reference-count":26,"publisher":"American Chemical Society (ACS)","issue":"4","license":[{"start":{"date-parts":[[2017,5,3]],"date-time":"2017-05-03T00:00:00Z","timestamp":1493769600000},"content-version":"vor","delay-in-days":23,"URL":"http:\/\/pubs.acs.org\/page\/policy\/authorchoice_termsofuse.html"}],"funder":[{"DOI":"10.13039\/100010663","name":"H2020 European Research Council","doi-asserted-by":"publisher","id":[{"id":"10.13039\/100010663","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2017,4,24]]},"DOI":"10.1021\/acs.jcim.7b00088","type":"journal-article","created":{"date-parts":[[2017,4,5]],"date-time":"2017-04-05T12:00:16Z","timestamp":1491393616000},"page":"710-716","source":"Crossref","is-referenced-by-count":43,"title":["Influence of Varying Training Set Composition and Size on Support Vector Machine-Based Prediction of Active Compounds"],"prefix":"10.1021","volume":"57","author":[{"given":"Raquel","family":"Rodr\u00edguez-P\u00e9rez","sequence":"first","affiliation":[{"name":"Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universit\u00e4t, Dahlmannstrasse 2, D-53113 Bonn, Germany"}]},{"given":"Martin","family":"Vogt","sequence":"additional","affiliation":[{"name":"Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universit\u00e4t, Dahlmannstrasse 2, D-53113 Bonn, Germany"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0557-5714","authenticated-orcid":true,"given":"J\u00fcrgen","family":"Bajorath","sequence":"additional","affiliation":[{"name":"Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universit\u00e4t, Dahlmannstrasse 2, D-53113 Bonn, Germany"}]}],"member":"316","published-online":{"date-parts":[[2017,4,10]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","DOI":"10.1007\/978-1-4757-3264-1","volume-title":"The Nature of Statistical Learning Theory","author":"Vapnik V. N.","year":"2000","edition":"2"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1023\/A:1009715923555"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1016\/S0097-8485(01)00094-8"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1021\/ci900419k"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1517\/17460441.2014.866943"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1021\/ci4002712"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1186\/1758-2946-5-17"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1186\/1758-2946-6-32"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1021\/ci3001277"},{"key":"ref10\/cit10","unstructured":"Japkowicz, N.Learning from Imbalanced Data Sets: A Comparison of Various Strategies.AAAI Workshop on Learning from Imbalanced Data Sets, 2000; Vol.68, pp10\u201315."},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"429","DOI":"10.3233\/IDA-2002-6504","volume":"6","author":"Japkowicz N.","year":"2002","journal-title":"Intell. Data Anal."},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"111","DOI":"10.1111\/j.2517-6161.1974.tb00994.x","volume":"36","author":"Stone M.","year":"1974","journal-title":"J. R. Stat. Soc. Series B Stat. Methodol."},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1021\/ci700461s"},{"key":"ref14\/cit14","first-page":"144","volume-title":"Proceedings of the 5th Annual Workshop on Computational Learning Theory","author":"Boser B. E.","year":"1992"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1016\/j.neunet.2005.07.009"},{"key":"ref16\/cit16","volume-title":"Proceedings of the 16th International Conference on Machine Learning (ICML-99)","author":"Morik K.","year":"1999"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkt1031"},{"key":"ref18\/cit18","volume-title":"MACCS Structural keys","year":"2006"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1021\/ci100050t"},{"key":"ref20\/cit20","volume-title":"The Concise Encyclopedia of Statistics","author":"Dodge Y.","year":"2008"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1080\/01621459.1974.10482955"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1146\/annurev.ps.46.020195.003021"},{"key":"ref23\/cit23","volume-title":"R: A Language and Environment for Statistical Computing"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.18637\/jss.v011.i09"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1016\/S0893-6080(99)00032-5"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1021\/ci500361u"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.7b00088","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.7b00088","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,6,23]],"date-time":"2024-06-23T12:27:02Z","timestamp":1719145622000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.7b00088"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2017,4,10]]},"references-count":26,"journal-issue":{"issue":"4","published-print":{"date-parts":[[2017,4,24]]}},"alternative-id":["10.1021\/acs.jcim.7b00088"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.7b00088","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2017,4,10]]}}}