{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,17]],"date-time":"2026-08-17T14:51:11Z","timestamp":1786978271117,"version":"build-2736575974"},"reference-count":32,"publisher":"Wiley","issue":"5-6","license":[{"start":{"date-parts":[[2016,10,14]],"date-time":"2016-10-14T00:00:00Z","timestamp":1476403200000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"funder":[{"DOI":"10.13039\/501100001809","name":"National Natural Science Funds of China","doi-asserted-by":"crossref","award":["21475081"],"award-info":[{"award-number":["21475081"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"crossref"}]},{"name":"Natural Science Foundation of Shaanxi Province of China","award":["2015JM2057"],"award-info":[{"award-number":["2015JM2057"]}]},{"name":"Graduate Innovation Fund of Shaanxi University of Science and Technology"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecular Informatics"],"published-print":{"date-parts":[[2017,5]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>\n                    In the study of peptide quantitative structure activity relationship (QSAR), a new descriptor of amino acids (SVGER) was calculated. It was applied in two peptides which are angiotensin converting enzyme inhibitors and bitter tasting threshold of di\u2010peptide. QSAR models were built by stepwise multiple regression\u2010multiple linear regression (SMR\u2010MLR) and stepwise multiple regression\u2010partial least square regression (SMR\u2010PLS). In the SMR\u2010MLR models for angiotensin converting enzyme inhibitors, the squared cross\u2010validation correlation coefficient (\n                    <jats:italic>Q<\/jats:italic>\n                    <jats:sub>LOO<\/jats:sub>\n                    <jats:sup>2<\/jats:sup>\n                    ) was 0.907, squared correlation coefficient between predicted and observed activities (\n                    <jats:italic>R<\/jats:italic>\n                    <jats:sub>cum<\/jats:sub>\n                    <jats:sup>2<\/jats:sup>\n                    ) was 0.977 and external multiple correlation coefficient (\n                    <jats:italic>Q<\/jats:italic>\n                    <jats:sub>ext<\/jats:sub>\n                    <jats:sup>2<\/jats:sup>\n                    ) was 0.867. The corresponding data for the bitter tasting threshold of di\u2010peptide were 0.802, 0.966, 0.719. While in the SMR\u2010PLS model,\n                    <jats:italic>Q<\/jats:italic>\n                    <jats:sub>LOO<\/jats:sub>\n                    <jats:sup>2<\/jats:sup>\n                    ,\n                    <jats:italic>R<\/jats:italic>\n                    <jats:sub>cum<\/jats:sub>\n                    <jats:sup>2<\/jats:sup>\n                    and\n                    <jats:italic>Q<\/jats:italic>\n                    <jats:sub>ext<\/jats:sub>\n                    <jats:sup>2<\/jats:sup>\n                    were 0.804, 0.915, 0.858 for angiotensin converting enzyme inhibitors and 0.782, 0.881, 0.747 for bitter tasting threshold of di\u2010peptide. Our results showed that descriptor SVGER can afford good account of relationships between activity and structure of peptide drugs.\n                  <\/jats:p>","DOI":"10.1002\/minf.201501023","type":"journal-article","created":{"date-parts":[[2016,10,14]],"date-time":"2016-10-14T07:57:06Z","timestamp":1476431826000},"source":"Crossref","is-referenced-by-count":9,"title":["A New Descriptor of Amino Acids\u2010SVGER and its Applications in Peptide QSAR"],"prefix":"10.1002","volume":"36","author":[{"given":"Jianbo","family":"Tong","sequence":"first","affiliation":[{"name":"Shaanxi University of Science &amp; Technology  Xi'an PR China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Lingxiao","family":"Li","sequence":"additional","affiliation":[{"name":"Shaanxi University of Science &amp; Technology  Xi'an PR China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Min","family":"Bai","sequence":"additional","affiliation":[{"name":"Shaanxi University of Science &amp; Technology  Xi'an PR China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Kangnan","family":"Li","sequence":"additional","affiliation":[{"name":"Shaanxi University of Science &amp; Technology  Xi'an PR China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2016,10,14]]},"reference":[{"key":"e_1_2_7_2_1","doi-asserted-by":"publisher","DOI":"10.2174\/1381612033454892"},{"key":"e_1_2_7_3_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmgm.2010.06.002"},{"key":"e_1_2_7_4_1","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20776"},{"key":"e_1_2_7_5_1","doi-asserted-by":"publisher","DOI":"10.1021\/jm00014a022"},{"key":"e_1_2_7_6_1","doi-asserted-by":"crossref","first-page":"821","DOI":"10.3866\/PKU.WHXB20040808","volume":"20","author":"Hu M.","year":"2004","journal-title":"Acta Physico-chimica Sinica"},{"key":"e_1_2_7_7_1","doi-asserted-by":"publisher","DOI":"10.1016\/0022-5193(66)90112-3"},{"key":"e_1_2_7_8_1","unstructured":"\u00a0"},{"key":"e_1_2_7_9_2","doi-asserted-by":"publisher","DOI":"10.1002\/prot.1035"},{"key":"e_1_2_7_10_2","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkv458"},{"key":"e_1_2_7_11_2","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/bth466"},{"key":"e_1_2_7_12_2","doi-asserted-by":"publisher","DOI":"10.1002\/minf.201300084"},{"key":"e_1_2_7_13_1","doi-asserted-by":"publisher","DOI":"10.1007\/BF01025492"},{"key":"e_1_2_7_14_1","unstructured":"\u00a0"},{"key":"e_1_2_7_15_2","doi-asserted-by":"publisher","DOI":"10.1002\/cem.2465"},{"key":"e_1_2_7_16_2","doi-asserted-by":"publisher","DOI":"10.1007\/s00726-010-0741-x"},{"key":"e_1_2_7_17_2","doi-asserted-by":"publisher","DOI":"10.1080\/1062936X.2011.604099"},{"key":"e_1_2_7_18_2","doi-asserted-by":"publisher","DOI":"10.1074\/mcp.O111.010389"},{"key":"e_1_2_7_19_1","unstructured":"\u00a0"},{"key":"e_1_2_7_20_2","doi-asserted-by":"publisher","DOI":"10.2174\/138920308784534005"},{"key":"e_1_2_7_21_2","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20174"},{"key":"e_1_2_7_22_1","unstructured":"A.\u2005N.\u2005R. Symposium Z.\u2005P. Horovitz Angiotensin converting enzyme inhibitors: mechanisms of action and clinical implications Urban & Schwarzenberg 1981."},{"key":"e_1_2_7_23_1","doi-asserted-by":"publisher","DOI":"10.1021\/jm00014a022"},{"key":"e_1_2_7_24_1","unstructured":"\u00a0"},{"key":"e_1_2_7_25_2","doi-asserted-by":"publisher","DOI":"10.1002\/ardp.200300757"},{"key":"e_1_2_7_26_2","doi-asserted-by":"publisher","DOI":"10.1080\/10629360903568697"},{"key":"e_1_2_7_27_1","first-page":"135","volume":"40","author":"Bolomsky A.","year":"1986","journal-title":"Acta Chemica Scandinavica"},{"key":"e_1_2_7_28_1","doi-asserted-by":"publisher","DOI":"10.1007\/s10044-009-0164-z"},{"key":"e_1_2_7_29_1","unstructured":"\u00a0"},{"key":"e_1_2_7_30_2","first-page":"3","volume":"11","author":"Chou K. 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