{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,2]],"date-time":"2026-01-02T17:26:18Z","timestamp":1767374778923,"version":"3.37.3"},"reference-count":5,"publisher":"Oxford University Press (OUP)","issue":"10","license":[{"start":{"date-parts":[[2017,12,23]],"date-time":"2017-12-23T00:00:00Z","timestamp":1513987200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/academic.oup.com\/journals\/pages\/open_access\/funder_policies\/chorus\/standard_publication_model"}],"funder":[{"DOI":"10.13039\/100000002","name":"NIH","doi-asserted-by":"publisher","id":[{"id":"10.13039\/100000002","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100012166","name":"National Key R&D Program of China","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100012166","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["31501079","31500954"],"award-info":[{"award-number":["31501079","31500954"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2018,5,15]]},"abstract":"<jats:title>Abstract<\/jats:title>\n               <jats:sec>\n                  <jats:title>Summary<\/jats:title>\n                  <jats:p>Pharmacokinetics (PK) is a long-standing bottleneck for botanical drug and traditional medicine research. By using an integrated phytochemical and metabolomics approach coupled with multivariate statistical analysis, we propose a new strategy, Poly-PK, to simultaneously monitor the performance of drug constituents and endogenous metabolites, taking into account both the diversity of the drug\u2019s chemical composition and its complex effects on the mammalian metabolic pathways. Poly-PK is independent of specific measurement platforms and has been successfully applied in the PK studies of Puerh tea, a traditional Chinese medicine Huangqi decoction and many other multi-component drugs. Here, we introduce an R package, polyPK, the first and only automation of the data analysis pipeline of Poly-PK strategy. polyPK provides 10 functions for data pre-processing, differential compound identification and grouping, traditional PK parameters calculation, multivariate statistical analysis, correlations, cluster analyses and resulting visualization. It may serve a wide range of users, including pharmacologists, biologists and doctors, in understanding the metabolic fate of multi-component drugs.<\/jats:p>\n               <\/jats:sec>\n               <jats:sec>\n                  <jats:title>Availability and implementation<\/jats:title>\n                  <jats:p>polyPK package is freely available from the R archive CRAN (https:\/\/CRAN.R-project.org\/package=polyPK).<\/jats:p>\n               <\/jats:sec>\n               <jats:sec>\n                  <jats:title>Supplementary information<\/jats:title>\n                  <jats:p>Supplementary data are available at Bioinformatics online.<\/jats:p>\n               <\/jats:sec>","DOI":"10.1093\/bioinformatics\/btx834","type":"journal-article","created":{"date-parts":[[2017,12,22]],"date-time":"2017-12-22T20:15:09Z","timestamp":1513973709000},"page":"1792-1794","source":"Crossref","is-referenced-by-count":13,"title":["polyPK: an R package for pharmacokinetic analysis of multi-component drugs using a metabolomics approach"],"prefix":"10.1093","volume":"34","author":[{"given":"Mengci","family":"Li","sequence":"first","affiliation":[{"name":"Center for Translational Medicine, Shanghai Jiao Tong University Affiliated Sixth People's Hospital, Shanghai, China"},{"name":"School of Biomedical Engineering and Med-X Research Institute, Shanghai Jiao Tong University, Shanghai, China"}]},{"given":"Shouli","family":"Wang","sequence":"additional","affiliation":[{"name":"Center for Translational Medicine, Shanghai Jiao Tong University Affiliated Sixth People's Hospital, Shanghai, China"}]},{"given":"Guoxiang","family":"Xie","sequence":"additional","affiliation":[{"name":"University of Hawaii Cancer Center, Honolulu, USA"}]},{"given":"Xiaohui","family":"Ma","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Core Technology in Innovative Chinese Medicine, Pharmacology and Toxicology Research Centre, Tasly Academy, Tasly Holding Group Co., Ltd, Tianjin, China"}]},{"given":"Tianlu","family":"Chen","sequence":"additional","affiliation":[{"name":"Center for Translational Medicine, Shanghai Jiao Tong University Affiliated Sixth People's Hospital, Shanghai, China"}]},{"given":"Wei","family":"Jia","sequence":"additional","affiliation":[{"name":"Center for Translational Medicine, Shanghai Jiao Tong University Affiliated Sixth People's Hospital, Shanghai, China"},{"name":"University of Hawaii Cancer Center, Honolulu, USA"}]}],"member":"286","published-online":{"date-parts":[[2017,12,23]]},"reference":[{"key":"2023012713471459500_btx834-B1","first-page":"S76","article-title":"The polypharmacokinetics of herbal medicines","volume":"350","author":"Jia","year":"2015","journal-title":"Science"},{"key":"2023012713471459500_btx834-B2","doi-asserted-by":"crossref","first-page":"105","DOI":"10.2174\/138920010791110926","article-title":"An integrated metabolomics and pharmacokinetics strategy for multi-component drugs evaluation","volume":"11","author":"Lan","year":"2010","journal-title":"Curr. Drug Metab"},{"key":"2023012713471459500_btx834-B3","doi-asserted-by":"crossref","first-page":"819147.","DOI":"10.1155\/2013\/819147","article-title":"Towards polypharmacokinetics: pharmacokinetics of multicomponent drugs and herbal medicines using a metabolomics approach","volume":"2013","author":"Lan","year":"2013","journal-title":"Evid. Based Complement. Alternat. Med"},{"key":"2023012713471459500_btx834-B4","article-title":"Poly-pharmacokinetic study of a multicomponent herbal medicine in healthy Chinese volunteers","author":"Xie","year":"2017","journal-title":"Clin. Pharmacol. Ther"},{"key":"2023012713471459500_btx834-B5","doi-asserted-by":"crossref","first-page":"3449","DOI":"10.1021\/pr300318m","article-title":"Metabolic fate of tea polyphenols in humans","volume":"11","author":"Xie","year":"2012","journal-title":"J. Proteome Res"}],"container-title":["Bioinformatics"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/academic.oup.com\/bioinformatics\/article-pdf\/34\/10\/1792\/48935606\/bioinformatics_34_10_1792.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"syndication"},{"URL":"https:\/\/academic.oup.com\/bioinformatics\/article-pdf\/34\/10\/1792\/48935606\/bioinformatics_34_10_1792.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,1,27]],"date-time":"2023-01-27T14:25:21Z","timestamp":1674829521000},"score":1,"resource":{"primary":{"URL":"https:\/\/academic.oup.com\/bioinformatics\/article\/34\/10\/1792\/4774300"}},"subtitle":[],"editor":[{"given":"Bonnie","family":"Berger","sequence":"additional","affiliation":[]}],"short-title":[],"issued":{"date-parts":[[2017,12,23]]},"references-count":5,"journal-issue":{"issue":"10","published-print":{"date-parts":[[2018,5,15]]}},"URL":"https:\/\/doi.org\/10.1093\/bioinformatics\/btx834","relation":{},"ISSN":["1367-4803","1367-4811"],"issn-type":[{"type":"print","value":"1367-4803"},{"type":"electronic","value":"1367-4811"}],"subject":[],"published-other":{"date-parts":[[2018,5,15]]},"published":{"date-parts":[[2017,12,23]]}}}