{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,17]],"date-time":"2026-03-17T02:26:42Z","timestamp":1773714402352,"version":"3.50.1"},"reference-count":18,"publisher":"Oxford University Press (OUP)","issue":"20","license":[{"start":{"date-parts":[[2019,3,27]],"date-time":"2019-03-27T00:00:00Z","timestamp":1553644800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/academic.oup.com\/journals\/pages\/open_access\/funder_policies\/chorus\/standard_publication_model"}],"funder":[{"name":"NTU SPARK program"},{"DOI":"10.13039\/100007225","name":"Ministry of Science and Technology","doi-asserted-by":"publisher","award":["107-2823-8-002-003-"],"award-info":[{"award-number":["107-2823-8-002-003-"]}],"id":[{"id":"10.13039\/100007225","id-type":"DOI","asserted-by":"publisher"}]},{"name":"Computational Molecular Design and Metabolomics Laboratory"},{"name":"Department of Computer Science and Information Engineering at National Taiwan University"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2019,10,15]]},"abstract":"<jats:title>Abstract<\/jats:title>\n               <jats:sec>\n                  <jats:title>Summary<\/jats:title>\n                  <jats:p>P-glycoprotein (P-gp) is a member of ABC transporter family that actively pumps xenobiotics out of cells to protect organisms from toxic compounds. P-gp substrates can be easily pumped out of the cells to reduce their absorption; conversely P-gp inhibitors can reduce such pumping activity. Hence, it is crucial to know if a drug is a P-gp substrate or inhibitor in view of pharmacokinetics. Here we present PgpRules, an online P-gp substrate and P-gp inhibitor prediction server with ruled-sets. The two models were built using classification and regression tree algorithm. For each compound uploaded, PgpRules not only predicts whether the compound is a P-gp substrate or a P-gp inhibitor, but also provides the rules containing chemical structural features for further structural optimization.<\/jats:p>\n               <\/jats:sec>\n               <jats:sec>\n                  <jats:title>Availability and implementation<\/jats:title>\n                  <jats:p>PgpRules is freely accessible at https:\/\/pgprules.cmdm.tw\/.<\/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\/btz213","type":"journal-article","created":{"date-parts":[[2019,3,26]],"date-time":"2019-03-26T15:13:43Z","timestamp":1553613223000},"page":"4193-4195","source":"Crossref","is-referenced-by-count":38,"title":["PgpRules: a decision tree based prediction server for P-glycoprotein substrates and inhibitors"],"prefix":"10.1093","volume":"35","author":[{"given":"Pei-Hua","family":"Wang","sequence":"first","affiliation":[{"name":"Graduate Institute of Biomedical Electronics and Bioinformatics"}]},{"given":"Yi-Shu","family":"Tu","sequence":"additional","affiliation":[{"name":"Graduate Institute of Biomedical Electronics and Bioinformatics"}]},{"given":"Yufeng J","family":"Tseng","sequence":"additional","affiliation":[{"name":"Graduate Institute of Biomedical Electronics and Bioinformatics"},{"name":"Department of Computer Science and Information Engineering, National Taiwan University , Taipei 106, Taiwan"}]}],"member":"286","published-online":{"date-parts":[[2019,3,27]]},"reference":[{"key":"2023013108283262000_btz213-B1","doi-asserted-by":"crossref","first-page":"27","DOI":"10.4137\/DTI.S12519","article-title":"P-glycoprotein inhibition for optimal drug delivery","volume":"7","author":"Amin","year":"2013","journal-title":"Drug Target Insights"},{"key":"2023013108283262000_btz213-B2","doi-asserted-by":"crossref","first-page":"e25815.","DOI":"10.1371\/journal.pone.0025815","article-title":"Predicting P-glycoprotein-mediated drug transport based on support vector machine and three-dimensional crystal structure of P-glycoprotein","volume":"6","author":"Bikadi","year":"2011","journal-title":"PLoS One"},{"key":"2023013108283262000_btz213-B3","doi-asserted-by":"crossref","first-page":"1740","DOI":"10.1021\/jm101421d","article-title":"A novel approach for predicting P-glycoprotein (ABCB1) inhibition using molecular interaction fields","volume":"54","author":"Broccatelli","year":"2011","journal-title":"J. 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