{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,8]],"date-time":"2025-10-08T00:33:04Z","timestamp":1759883584993,"version":"build-2065373602"},"reference-count":18,"publisher":"Wiley","issue":"8","license":[{"start":{"date-parts":[[2024,5,12]],"date-time":"2024-05-12T00:00:00Z","timestamp":1715472000000},"content-version":"am","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"},{"start":{"date-parts":[[2024,5,12]],"date-time":"2024-05-12T00:00:00Z","timestamp":1715472000000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/100007875","name":"Tulane University","doi-asserted-by":"publisher","award":["Start\u2010up"],"award-info":[{"award-number":["Start\u2010up"]}],"id":[{"id":"10.13039\/100007875","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000057","name":"National Institute of General Medical Sciences","doi-asserted-by":"publisher","award":["P20GM109036\u201007"],"award-info":[{"award-number":["P20GM109036\u201007"]}],"id":[{"id":"10.13039\/100000057","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000005","name":"U.S. Department of Defense","doi-asserted-by":"publisher","award":["W8IXWH1910926"],"award-info":[{"award-number":["W8IXWH1910926"]}],"id":[{"id":"10.13039\/100000005","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["advanced.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Advanced Intelligent Systems"],"published-print":{"date-parts":[[2024,8]]},"abstract":"<jats:p>Targeted mass spectrometry (MS) holds promise for precise protein and protein\u2010representative peptide identification and quantification, enhancing disease diagnosis. However, its clinical application is hindered by complex data analysis and expert review requirements. It is hypothesized that machine learning (ML) models can automate data analysis to accelerate the clinical application of MS. The approach involves an ML\u2010driven pipeline that extracts statistical and morphological features from an MS target region and feeds these features into ML algorithms to generate and assess predictive models. The findings demonstrate ML prediction models exhibit superior performance when trained on extracted features versus raw spectra intensity data and that random forest models exhibit robust classification performance in both internal and external validation datasets. These models remain effective across varying training dataset sizes and positive sample rates and are enhanced by a nested active learning approach. This approach can thus revolutionize clinical MS applications.<\/jats:p>","DOI":"10.1002\/aisy.202300773","type":"journal-article","created":{"date-parts":[[2024,5,12]],"date-time":"2024-05-12T16:04:54Z","timestamp":1715529894000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Improving Targeted Mass Spectrometry Data Analysis with Nested Active Machine Learning"],"prefix":"10.1002","volume":"6","author":[{"given":"Duran","family":"Bao","sequence":"first","affiliation":[{"name":"Department of Biochemistry and Molecular Biology in School of Medicine Tulane University  1430 Tulane Avenue New Orleans LA 70112 USA"},{"name":"Center for Cellular and Molecular Diagnostics Tulane University  1430 Tulane Avenue New Orleans LA 70112 USA"}]},{"given":"Qingbo","family":"Shu","sequence":"additional","affiliation":[{"name":"Department of Biochemistry and Molecular Biology in School of Medicine Tulane University  1430 Tulane Avenue New Orleans LA 70112 USA"},{"name":"Center for Cellular and Molecular Diagnostics Tulane University  1430 Tulane Avenue New Orleans LA 70112 USA"}]},{"given":"Bo","family":"Ning","sequence":"additional","affiliation":[{"name":"Department of Biochemistry and Molecular Biology in School of Medicine Tulane University  1430 Tulane Avenue New Orleans LA 70112 USA"},{"name":"Center for Cellular and Molecular Diagnostics Tulane University  1430 Tulane Avenue New Orleans LA 70112 USA"}]},{"given":"Michael","family":"Tang","sequence":"additional","affiliation":[{"name":"Department of Biochemistry and Molecular Biology in School of Medicine Tulane University  1430 Tulane Avenue New Orleans LA 70112 USA"},{"name":"Center for Cellular and Molecular Diagnostics Tulane University  1430 Tulane Avenue New Orleans LA 70112 USA"}]},{"given":"Yubing","family":"Liu","sequence":"additional","affiliation":[{"name":"Department of Biochemistry and Molecular Biology in School of Medicine Tulane University  1430 Tulane Avenue New Orleans LA 70112 USA"},{"name":"Center for Cellular and Molecular Diagnostics Tulane University  1430 Tulane Avenue New Orleans LA 70112 USA"}]},{"given":"Noel","family":"Wong","sequence":"additional","affiliation":[{"name":"Department of Information Technology Tulane University  6823 St. Charles Avenue New Orleans LA 70118 USA"}]},{"given":"Zhengming","family":"Ding","sequence":"additional","affiliation":[{"name":"Department of Computer Science School of Science and Engineering Tulane University  6823 St. Charles Avenue New Orleans LA 70118 USA"}]},{"given":"Zizhan","family":"Zheng","sequence":"additional","affiliation":[{"name":"Department of Computer Science School of Science and Engineering Tulane University  6823 St. Charles Avenue New Orleans LA 70118 USA"}]},{"given":"Christopher J.","family":"Lyon","sequence":"additional","affiliation":[{"name":"Department of Biochemistry and Molecular Biology in School of Medicine Tulane University  1430 Tulane Avenue New Orleans LA 70112 USA"},{"name":"Center for Cellular and Molecular Diagnostics Tulane University  1430 Tulane Avenue New Orleans LA 70112 USA"}]},{"given":"Tony","family":"Hu","sequence":"additional","affiliation":[{"name":"Department of Biochemistry and Molecular Biology in School of Medicine Tulane University  1430 Tulane Avenue New Orleans LA 70112 USA"},{"name":"Center for Cellular and Molecular Diagnostics Tulane University  1430 Tulane Avenue New Orleans LA 70112 USA"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3384-0834","authenticated-orcid":false,"given":"Jia","family":"Fan","sequence":"additional","affiliation":[{"name":"Department of Biochemistry and Molecular Biology in School of Medicine Tulane University  1430 Tulane Avenue New Orleans LA 70112 USA"},{"name":"Center for Cellular and Molecular Diagnostics Tulane University  1430 Tulane Avenue New Orleans LA 70112 USA"}]}],"member":"311","published-online":{"date-parts":[[2024,5,12]]},"reference":[{"key":"e_1_2_9_2_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.analchem.0c00420"},{"key":"e_1_2_9_3_1","doi-asserted-by":"publisher","DOI":"10.1038\/nm0102-68"},{"key":"e_1_2_9_3_2","doi-asserted-by":"publisher","DOI":"10.1038\/s41573-019-0024-5"},{"key":"e_1_2_9_3_3","doi-asserted-by":"publisher","DOI":"10.1007\/s42521-019-00014-x"},{"key":"e_1_2_9_4_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-020-66199-z"},{"key":"e_1_2_9_5_1","doi-asserted-by":"publisher","DOI":"10.1038\/nmeth.1584"},{"key":"e_1_2_9_5_2","doi-asserted-by":"publisher","DOI":"10.1186\/s12014-018-9209-x"},{"key":"e_1_2_9_6_1","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btq054"},{"key":"e_1_2_9_7_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.analchem.9b04811"},{"key":"e_1_2_9_7_2","doi-asserted-by":"publisher","DOI":"10.1021\/acs.analchem.1c02220"},{"key":"e_1_2_9_8_1","doi-asserted-by":"publisher","DOI":"10.7150\/thno.70373"},{"key":"e_1_2_9_9_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-020-19354-z"},{"key":"e_1_2_9_10_1","doi-asserted-by":"publisher","DOI":"10.1109\/TKDE.2005.50"},{"key":"e_1_2_9_11_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.patcog.2018.03.035"},{"key":"e_1_2_9_12_1","doi-asserted-by":"publisher","DOI":"10.1038\/s42256-020-00287-7"},{"key":"e_1_2_9_13_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41746-018-0061-1"},{"key":"e_1_2_9_14_1","doi-asserted-by":"publisher","DOI":"10.1038\/s42256-019-0138-9"},{"volume-title":"Sampling of Populations: Methods and Applications","year":"2013","author":"Levy P. S.","key":"e_1_2_9_15_1"}],"container-title":["Advanced Intelligent Systems"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/advanced.onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/aisy.202300773","content-type":"application\/pdf","content-version":"vor","intended-application":"syndication"},{"URL":"https:\/\/advanced.onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/aisy.202300773","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,10,7]],"date-time":"2025-10-07T18:50:19Z","timestamp":1759863019000},"score":1,"resource":{"primary":{"URL":"https:\/\/advanced.onlinelibrary.wiley.com\/doi\/10.1002\/aisy.202300773"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2024,5,12]]},"references-count":18,"journal-issue":{"issue":"8","published-print":{"date-parts":[[2024,8]]}},"alternative-id":["10.1002\/aisy.202300773"],"URL":"https:\/\/doi.org\/10.1002\/aisy.202300773","archive":["Portico"],"relation":{},"ISSN":["2640-4567","2640-4567"],"issn-type":[{"type":"print","value":"2640-4567"},{"type":"electronic","value":"2640-4567"}],"subject":[],"published":{"date-parts":[[2024,5,12]]},"assertion":[{"value":"2023-11-18","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2024-05-12","order":3,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}],"article-number":"2300773"}}