{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,9]],"date-time":"2026-07-09T21:50:49Z","timestamp":1783633849965,"version":"3.55.0"},"reference-count":29,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2021,9,1]],"date-time":"2021-09-01T00:00:00Z","timestamp":1630454400000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2021,9,1]],"date-time":"2021-09-01T00:00:00Z","timestamp":1630454400000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2021,9,1]],"date-time":"2021-09-01T00:00:00Z","timestamp":1630454400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-017"},{"start":{"date-parts":[[2021,9,1]],"date-time":"2021-09-01T00:00:00Z","timestamp":1630454400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2021,9,1]],"date-time":"2021-09-01T00:00:00Z","timestamp":1630454400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-012"},{"start":{"date-parts":[[2021,9,1]],"date-time":"2021-09-01T00:00:00Z","timestamp":1630454400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2021,9,1]],"date-time":"2021-09-01T00:00:00Z","timestamp":1630454400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-004"}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy"],"published-print":{"date-parts":[[2021,9]]},"DOI":"10.1016\/j.saa.2021.119870","type":"journal-article","created":{"date-parts":[[2021,4,24]],"date-time":"2021-04-24T03:01:49Z","timestamp":1619233309000},"page":"119870","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":43,"special_numbering":"C","title":["A sample selection method specific to unknown test samples for calibration and validation sets based on spectra similarity"],"prefix":"10.1016","volume":"258","author":[{"given":"Yue","family":"Sun","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Meng","family":"Yuan","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xiaoyan","family":"Liu","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mei","family":"Su","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Linlin","family":"Wang","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yingzi","family":"Zeng","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hengchang","family":"Zang","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Lei","family":"Nie","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"key":"10.1016\/j.saa.2021.119870_b0005","doi-asserted-by":"crossref","DOI":"10.1016\/j.microc.2019.104278","article-title":"The application of spectroscopic techniques in combination with chemometrics for detection adulteration of some herbs and spices","volume":"153","author":"Kucharska-Ambro\u017cej","year":"2020","journal-title":"Microchem. J."},{"key":"10.1016\/j.saa.2021.119870_b0010","doi-asserted-by":"crossref","first-page":"4159","DOI":"10.1021\/acs.jcim.9b00386","article-title":"Applications of Discrete Shmaliy Moments on the Quantitative Analysis of Multitarget Compounds Based on the Chemical Spectra","volume":"59","author":"Mi","year":"2019","journal-title":"J. Chem. Inf. Model."},{"key":"10.1016\/j.saa.2021.119870_b0015","doi-asserted-by":"crossref","first-page":"239","DOI":"10.1016\/j.jpba.2018.08.052","article-title":"Fast discrimination of the geographical origins of notoginseng by near-infrared spectroscopy and chemometrics","volume":"161","author":"Chen","year":"2018","journal-title":"J. Pharm. Biomed. Anal."},{"key":"10.1016\/j.saa.2021.119870_b0020","doi-asserted-by":"crossref","first-page":"9175","DOI":"10.1021\/acs.analchem.7b01907","article-title":"Development of Near Infrared Spectroscopy-based Process Monitoring Methodology for Pharmaceutical Continuous Manufacturing Using an Offline Calibration Approach","volume":"89","author":"Hetrick","year":"2017","journal-title":"Anal. Chem."},{"key":"10.1016\/j.saa.2021.119870_b0025","doi-asserted-by":"crossref","first-page":"67","DOI":"10.1002\/cem.1180020108","article-title":"The effect of interferences and calibration design on accuracy: implications for senseor and sample selection","volume":"2","author":"Lorber","year":"1988","journal-title":"J. Chemometr."},{"key":"10.1016\/j.saa.2021.119870_b0030","doi-asserted-by":"crossref","first-page":"7225","DOI":"10.1039\/C6AY01574C","article-title":"Representative subset selection and outlier detection via isolation forest","volume":"8","author":"Chen","year":"2016","journal-title":"Anal. Methods"},{"key":"10.1016\/j.saa.2021.119870_b0035","doi-asserted-by":"crossref","first-page":"736","DOI":"10.1016\/j.talanta.2005.03.025","article-title":"A method for calibration and validation subset partitioning","volume":"67","author":"Galv\u00e3o","year":"2005","journal-title":"Talanta"},{"key":"10.1016\/j.saa.2021.119870_b0040","doi-asserted-by":"crossref","first-page":"137","DOI":"10.1080\/00401706.1969.10490666","article-title":"Computer Aided Design of Experiments","volume":"11","author":"Kennard","year":"1969","journal-title":"Technometrics"},{"key":"10.1016\/j.saa.2021.119870_b0045","doi-asserted-by":"crossref","first-page":"7","DOI":"10.1016\/j.chemolab.2016.05.007","article-title":"Strategy for constructing calibration sets based on a derivative spectra information space consensus","volume":"156","author":"Li","year":"2016","journal-title":"Chemometr. Intell. Lab. Syst."},{"key":"10.1016\/j.saa.2021.119870_b0050","doi-asserted-by":"crossref","DOI":"10.1002\/cem.3109","article-title":"HSPXY: A hybrid-correlation and diversity-distances based data partition method","volume":"33","author":"Li","year":"2019","journal-title":"J. Chemometr."},{"key":"10.1016\/j.saa.2021.119870_b0055","doi-asserted-by":"crossref","first-page":"91","DOI":"10.1016\/S0003-2670(02)00651-7","article-title":"Representative subset selection","volume":"468","author":"Daszykowski","year":"2002","journal-title":"Anal. Chim. Acta"},{"key":"10.1016\/j.saa.2021.119870_b0060","doi-asserted-by":"crossref","first-page":"3069","DOI":"10.1007\/s10586-018-1877-9","article-title":"SPXYE: an improved method for partitioning training and validation sets","volume":"22","author":"Gao","year":"2018","journal-title":"Cluster Computing"},{"key":"10.1016\/j.saa.2021.119870_b0065","doi-asserted-by":"crossref","first-page":"2570","DOI":"10.1021\/ci300338w","article-title":"Does rational selection of training and test sets improve the outcome of QSAR modeling?","volume":"52","author":"Martin","year":"2012","journal-title":"J. Chem. Inf. Model."},{"key":"10.1016\/j.saa.2021.119870_b0070","doi-asserted-by":"crossref","first-page":"280","DOI":"10.1016\/j.saa.2018.12.003","article-title":"Quantifying several adulterants of notoginseng powder by near-infrared spectroscopy and multivariate calibration","volume":"211","author":"Chen","year":"2019","journal-title":"Spectrochim. Acta A Mol. Biomol. Spectrosc."},{"key":"10.1016\/j.saa.2021.119870_b0075","doi-asserted-by":"crossref","first-page":"451","DOI":"10.1109\/TPAMI.2007.70714","article-title":"Distance learning for similarity estimation","volume":"30","author":"Yu","year":"2008","journal-title":"IEEE Trans. Pattern Anal. Mach. Intell."},{"key":"10.1016\/j.saa.2021.119870_b0080","doi-asserted-by":"crossref","first-page":"25","DOI":"10.1016\/j.aca.2012.11.007","article-title":"Sample size planning for classification models","volume":"760","author":"Beleites","year":"2013","journal-title":"Anal. Chim. Acta"},{"key":"10.1016\/j.saa.2021.119870_b0085","doi-asserted-by":"crossref","first-page":"308","DOI":"10.1016\/j.talanta.2018.07.012","article-title":"Quantification of active ingredients in Potentilla tormentilla by Raman and infrared spectroscopy","volume":"189","author":"Mazurek","year":"2018","journal-title":"Talanta"},{"key":"10.1016\/j.saa.2021.119870_b0090","doi-asserted-by":"crossref","first-page":"179","DOI":"10.1016\/j.jpba.2018.07.048","article-title":"Quantitative analysis of a pharmaceutical formulation: Performance comparison of different handheld near-infrared spectrometers","volume":"160","author":"Yan","year":"2018","journal-title":"J. Pharm. Biomed. Anal."},{"key":"10.1016\/j.saa.2021.119870_b0095","doi-asserted-by":"crossref","DOI":"10.1016\/j.saa.2019.117324","article-title":"Rapid quality evaluation of Shenzhiling oral liquid by attenuated total reflectance-infrared spectroscopy with chemometrics","volume":"223","author":"Jiang","year":"2019","journal-title":"Spectrochim. Acta Part A Mol. Biomol. Spectrosc."},{"key":"10.1016\/j.saa.2021.119870_b0100","doi-asserted-by":"crossref","first-page":"109","DOI":"10.1016\/S0169-7439(01)00155-1","article-title":"PLS-regression: a basic tool of chemometrics","volume":"58","author":"Svante Wold","year":"2001","journal-title":"Chemometr. Intell. Lab. Syst."},{"key":"10.1016\/j.saa.2021.119870_b0105","unstructured":"P.C.o. PRC, Pharmacopoeia of the People\u2019s Republic of China, 2015 ed., China Medical Science Press, Beijing, 2015."},{"key":"10.1016\/j.saa.2021.119870_b0110","unstructured":"http:\/\/www.eigenvector.com\/Data\/Corn\/corn.mat."},{"key":"10.1016\/j.saa.2021.119870_b0115","doi-asserted-by":"crossref","first-page":"135","DOI":"10.1080\/00949655.2014.996758","article-title":"A kernel distance-based representative subset selection method","volume":"86","author":"Gani","year":"2015","journal-title":"J. Stat. Comput. Simul."},{"key":"10.1016\/j.saa.2021.119870_b0120","doi-asserted-by":"crossref","first-page":"16","DOI":"10.1016\/j.jpba.2015.11.021","article-title":"Fourier transform mid-infrared spectroscopy (FT-MIR) combined with chemometrics for quantitative analysis of dextrin in Danshen (Salvia miltiorrhiza) granule","volume":"123","author":"Guo","year":"2016","journal-title":"J. Pharm. Biomed. Anal."},{"key":"10.1016\/j.saa.2021.119870_b0125","doi-asserted-by":"crossref","first-page":"491","DOI":"10.1366\/0003702854248656","article-title":"Linearization and Scatter-Correction for Near-Infrared Reflectance Spectra of Meat","volume":"39","author":"Geladi","year":"1985","journal-title":"Appl. Spectrosc."},{"key":"10.1016\/j.saa.2021.119870_b0130","doi-asserted-by":"crossref","first-page":"25","DOI":"10.1255\/jnirs.3","article-title":"Comparison of Commercial near Infrared Transmittance and Reflectance Instruments for Analysis of Whole Grains and Seeds","volume":"1","author":"Williams","year":"1993","journal-title":"J. Near Infrared Spectrosc."},{"key":"10.1016\/j.saa.2021.119870_b0135","doi-asserted-by":"crossref","first-page":"59","DOI":"10.1016\/j.chemolab.2011.11.013","article-title":"Selection of representative calibration sample sets for near-infrared reflectance spectroscopy to predict nitrogen concentration in grasses","volume":"111","author":"Shetty","year":"2012","journal-title":"Chemometr. Intell. Lab. Syst."},{"key":"10.1016\/j.saa.2021.119870_b0140","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/S0169-7439(99)00047-7","article-title":"The Mahalanobis distance","volume":"50","author":"De Maesschalck","year":"2000","journal-title":"Chemometr. Intell. Lab. Syst."},{"key":"10.1016\/j.saa.2021.119870_b0145","doi-asserted-by":"crossref","DOI":"10.1021\/ac00162a020","article-title":"Partial least-square methods for spectral analyses: 1, 1. Relations to other quantitative calibration methods and the extraction of qualitative information","volume":"60","author":"Haaland","year":"1988","journal-title":"Anal. Chem."}],"container-title":["Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1386142521004467?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1386142521004467?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2025,10,25]],"date-time":"2025-10-25T01:46:29Z","timestamp":1761356789000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1386142521004467"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2021,9]]},"references-count":29,"alternative-id":["S1386142521004467"],"URL":"https:\/\/doi.org\/10.1016\/j.saa.2021.119870","relation":{},"ISSN":["1386-1425"],"issn-type":[{"value":"1386-1425","type":"print"}],"subject":[],"published":{"date-parts":[[2021,9]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"A sample selection method specific to unknown test samples for calibration and validation sets based on spectra similarity","name":"articletitle","label":"Article Title"},{"value":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.saa.2021.119870","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2021 Elsevier B.V. All rights reserved.","name":"copyright","label":"Copyright"}],"article-number":"119870"}}