{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,3,3]],"date-time":"2025-03-03T05:47:07Z","timestamp":1740980827297,"version":"3.38.0"},"reference-count":45,"publisher":"IGI Global","issue":"1","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2011,1,1]]},"abstract":"<p>In this paper, topological-mathematical models based on multilineal regression analysis have been built as a model of the degradability of 26 alkylphenols through the Chemical Oxygen Demand (COD) and Biochemical Oxigen Demand (BOD5). Two models with three-variable were selected (r2= 0.8793 and q2=0.8075 for log(1\/COD) and r2= 0.8928 and q2=0.8327 for log(1\/BOD5). The models were validated by cross-validation, internal validation and randomization tests. The results, which stand in good accordance with the obtained results, confirm the robustness of the method.<\/p>","DOI":"10.4018\/ijcce.2011010101","type":"journal-article","created":{"date-parts":[[2011,2,15]],"date-time":"2011-02-15T20:45:12Z","timestamp":1297802712000},"page":"1-11","source":"Crossref","is-referenced-by-count":0,"title":["Application of Molecular Topology to the Prediction of Water Quality Indices of Alkylphenol Pollutants"],"prefix":"10.4018","volume":"1","author":[{"given":"Jorge","family":"G\u00e1lvez","sequence":"first","affiliation":[{"name":"University of Valencia, Spain"}]},{"given":"Miriam","family":"Parre\u00f1o","sequence":"additional","affiliation":[{"name":"University of Valencia, Spain"}]},{"given":"Jordi","family":"Pla","sequence":"additional","affiliation":[{"name":"University of Valencia, Spain"}]},{"given":"Jaime","family":"Sanchez","sequence":"additional","affiliation":[{"name":"University of Valencia, Spain"}]},{"given":"Mar\u00eda","family":"G\u00e1lvez-Llompart","sequence":"additional","affiliation":[{"name":"University of Valencia, Spain"}]},{"given":"Sergio","family":"Navarro","sequence":"additional","affiliation":[{"name":"University of Valencia, Spain"}]},{"given":"Ram\u00f3n","family":"Garc\u00eda-Domenech","sequence":"additional","affiliation":[{"name":"University of Valencia, Spain"}]}],"member":"2432","reference":[{"key":"ijcce.2011010101-0","doi-asserted-by":"publisher","DOI":"10.1016\/S0923-2508(02)00009-8"},{"key":"ijcce.2011010101-1","doi-asserted-by":"publisher","DOI":"10.1016\/j.chemosphere.2005.09.044"},{"key":"ijcce.2011010101-2","doi-asserted-by":"publisher","DOI":"10.1007\/BF01569509"},{"key":"ijcce.2011010101-3","doi-asserted-by":"publisher","DOI":"10.3390\/91200989"},{"key":"ijcce.2011010101-4","doi-asserted-by":"publisher","DOI":"10.1016\/S0043-1354(98)00231-0"},{"key":"ijcce.2011010101-5","doi-asserted-by":"publisher","DOI":"10.1016\/j.aquatox.2007.01.003"},{"key":"ijcce.2011010101-6","first-page":"73","article-title":"Use of graph-theoretic and geometrical molecular descriptors in structure-activity relationships","author":"S. C.Basak","year":"1997","journal-title":"From chemical topology to three-dimensional geometry"},{"key":"ijcce.2011010101-7","first-page":"75","article-title":"A mechanistic approach to deriving quantitative structure biodegradability relationships. A case study: Dehalogenation of haloaliphatic compounds. NATO ASI Series, Series 2","volume":"23","author":"J.Damborsky","year":"1996","journal-title":"Environment"},{"key":"ijcce.2011010101-8","doi-asserted-by":"publisher","DOI":"10.1021\/jm981132u"},{"key":"ijcce.2011010101-9","doi-asserted-by":"publisher","DOI":"10.1002\/ps.2780170314"},{"key":"ijcce.2011010101-10","doi-asserted-by":"publisher","DOI":"10.1023\/A:1008048003720"},{"key":"ijcce.2011010101-11","doi-asserted-by":"publisher","DOI":"10.1016\/j.chemosphere.2004.11.085"},{"key":"ijcce.2011010101-12","doi-asserted-by":"publisher","DOI":"10.1021\/cr0780006"},{"key":"ijcce.2011010101-13","doi-asserted-by":"publisher","DOI":"10.1289\/ehp.99107385"},{"key":"ijcce.2011010101-14","doi-asserted-by":"publisher","DOI":"10.1002\/9780470125793.ch9"},{"key":"ijcce.2011010101-15","doi-asserted-by":"publisher","DOI":"10.2307\/1267145"},{"key":"ijcce.2011010101-16","doi-asserted-by":"publisher","DOI":"10.1128\/AEM.69.6.3650-3652.2003"},{"key":"ijcce.2011010101-17","doi-asserted-by":"publisher","DOI":"10.1897\/01-302"},{"key":"ijcce.2011010101-18","doi-asserted-by":"publisher","DOI":"10.1099\/mic.0.26628-0"},{"key":"ijcce.2011010101-19","doi-asserted-by":"publisher","DOI":"10.1016\/0166-445X(93)90064-8"},{"journal-title":"Concepts and applications of molecular similarity","year":"1990","author":"M. A.Johnson","key":"ijcce.2011010101-20"},{"issue":"4","key":"ijcce.2011010101-21","doi-asserted-by":"crossref","first-page":"855","DOI":"10.1002\/etc.5620220425","article-title":"Reproductive effects of estrogenic and antiestrogenic chemicals on sheepshead minnows (cyprinodon variegatus).","volume":"22","author":"A. A.Karels","year":"2003","journal-title":"Environmental Toxicology and Chemistry"},{"key":"ijcce.2011010101-22","doi-asserted-by":"publisher","DOI":"10.1080\/10629360701698761"},{"issue":"2","key":"ijcce.2011010101-23","doi-asserted-by":"crossref","first-page":"171","DOI":"10.1242\/jeb.203.2.171","article-title":"Effects of nonylphenol and 17\u00ce\u00b2-estradiol on vitellogenin synthesis and testis morphology in male platyfish xiphophorus maculatus.","volume":"203","author":"K.Kinnberg","year":"2000","journal-title":"The Journal of Experimental Biology"},{"issue":"9","key":"ijcce.2011010101-24","doi-asserted-by":"crossref","first-page":"1829","DOI":"10.1002\/etc.5620160910","article-title":"Structure-biodegradability study and computer-automated prediction of aerobic biodegradation of chemicals.","volume":"16","author":"G.Klopman","year":"1997","journal-title":"Environmental Toxicology and Chemistry"},{"key":"ijcce.2011010101-25","doi-asserted-by":"publisher","DOI":"10.1016\/j.taap.2004.02.003"},{"key":"ijcce.2011010101-26","doi-asserted-by":"publisher","DOI":"10.1007\/s00244-005-0100-1"},{"issue":"7","key":"ijcce.2011010101-27","first-page":"695","article-title":"Alkylphenol ethoxylates in the environment. Journal of the American Oil Chemists'","volume":"69","author":"C. G.Naylor","year":"1992","journal-title":"Society"},{"key":"ijcce.2011010101-28","doi-asserted-by":"publisher","DOI":"10.1002\/etc.5620060704"},{"key":"ijcce.2011010101-29","doi-asserted-by":"publisher","DOI":"10.1016\/S0304-3894(01)00207-2"},{"key":"ijcce.2011010101-30","doi-asserted-by":"publisher","DOI":"10.1016\/j.chemolab.2007.07.004"},{"key":"ijcce.2011010101-31","doi-asserted-by":"publisher","DOI":"10.1007\/BF02494695"},{"key":"ijcce.2011010101-32","doi-asserted-by":"publisher","DOI":"10.1021\/es970723r"},{"key":"ijcce.2011010101-33","first-page":"125","article-title":"Comprehensive medicinal chemistry","author":"G. L.Siebel","year":"1990","journal-title":"Quantitative drug design"},{"key":"ijcce.2011010101-34","unstructured":"StatSoft. (2008). STATISTICA (data analysis software system), version 8.0"},{"key":"ijcce.2011010101-35","unstructured":"Todeschini, R., Consonni, V., & Pavan, M. (2006). Dragon software version 5.4."},{"key":"ijcce.2011010101-36","doi-asserted-by":"publisher","DOI":"10.1002\/etc.5620180420"},{"journal-title":"Terms of environment: Glossary, abbreviations and acronyms","year":"1997","key":"ijcce.2011010101-37"},{"key":"ijcce.2011010101-38","unstructured":"U.S. Environmental Protection Agency. Office of Water & Office of Science and Technology. (2005). Aquatic life ambient water quality criteria- nonylphenol (Tech. Rep. No. EPA-822-R-05-005). Retrieved April 27, 2010, from http:\/\/www.epa.gov\/waterscience\/criteria\/nonylphenol\/final-doc.pdf"},{"key":"ijcce.2011010101-39","doi-asserted-by":"publisher","DOI":"10.1021\/es051330s"},{"journal-title":"Computer-assisted drug design","year":"1979","author":"H.Weinstein","key":"ijcce.2011010101-40"},{"key":"ijcce.2011010101-41","doi-asserted-by":"publisher","DOI":"10.1016\/S0048-9697(99)00226-0"},{"key":"ijcce.2011010101-42","doi-asserted-by":"publisher","DOI":"10.1016\/S0166-445X(01)00242-9"},{"key":"ijcce.2011010101-43","doi-asserted-by":"publisher","DOI":"10.1021\/es991279q"},{"key":"ijcce.2011010101-44","doi-asserted-by":"publisher","DOI":"10.1016\/S0160-4120(02)00017-X"}],"container-title":["International Journal of Chemoinformatics and Chemical Engineering"],"original-title":[],"language":"ng","link":[{"URL":"https:\/\/www.igi-global.com\/viewtitle.aspx?TitleId=50468","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,3,2]],"date-time":"2025-03-02T16:54:32Z","timestamp":1740934472000},"score":1,"resource":{"primary":{"URL":"https:\/\/services.igi-global.com\/resolvedoi\/resolve.aspx?doi=10.4018\/ijcce.2011010101"}},"subtitle":[""],"short-title":[],"issued":{"date-parts":[[2011,1,1]]},"references-count":45,"journal-issue":{"issue":"1","published-print":{"date-parts":[[2011,1]]}},"URL":"https:\/\/doi.org\/10.4018\/ijcce.2011010101","relation":{},"ISSN":["2155-4110","2155-4129"],"issn-type":[{"type":"print","value":"2155-4110"},{"type":"electronic","value":"2155-4129"}],"subject":[],"published":{"date-parts":[[2011,1,1]]}}}