{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,30]],"date-time":"2026-09-30T03:38:56Z","timestamp":1790739536461,"version":"4.1.0"},"reference-count":45,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2024,10,1]],"date-time":"2024-10-01T00:00:00Z","timestamp":1727740800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2024,10,1]],"date-time":"2024-10-01T00:00:00Z","timestamp":1727740800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2024,10,1]],"date-time":"2024-10-01T00:00:00Z","timestamp":1727740800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-017"},{"start":{"date-parts":[[2024,10,1]],"date-time":"2024-10-01T00:00:00Z","timestamp":1727740800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2024,10,1]],"date-time":"2024-10-01T00:00:00Z","timestamp":1727740800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-012"},{"start":{"date-parts":[[2024,10,1]],"date-time":"2024-10-01T00:00:00Z","timestamp":1727740800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2024,10,1]],"date-time":"2024-10-01T00:00:00Z","timestamp":1727740800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-004"}],"funder":[{"DOI":"10.13039\/501100004204","name":"Tongji University","doi-asserted-by":"publisher","award":["YRWEF202201"],"award-info":[{"award-number":["YRWEF202201"]}],"id":[{"id":"10.13039\/501100004204","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Science of The Total Environment"],"published-print":{"date-parts":[[2024,10]]},"DOI":"10.1016\/j.scitotenv.2024.174739","type":"journal-article","created":{"date-parts":[[2024,7,14]],"date-time":"2024-07-14T06:16:41Z","timestamp":1720937801000},"page":"174739","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":13,"special_numbering":"C","title":["Derivation of water quality criteria for paraquat, bisphenol A and carbamazepine using quantitative structure-activity relationship and species sensitivity distribution (QSAR-SSD)"],"prefix":"10.1016","volume":"948","author":[{"given":"Ya-Qian","family":"Xu","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Peng","family":"Huang","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xiang-Wei","family":"Li","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Shu-Shen","family":"Liu","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Bing-Qing","family":"Lu","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"key":"10.1016\/j.scitotenv.2024.174739_bb2005","doi-asserted-by":"crossref","first-page":"50","DOI":"10.1016\/j.jhazmat.2013.04.025","article-title":"Daphnia and fish toxicity of (benzo)triazoles: validated QSAR models, and interspecies quantitative activity-activity modelling","volume":"258","author":"Cassani","year":"2013","journal-title":"J. Hazard. Mater."},{"key":"10.1016\/j.scitotenv.2024.174739_bb0005","doi-asserted-by":"crossref","first-page":"260","DOI":"10.1016\/j.jhazmat.2015.06.054","article-title":"Development of quantitative structure activity relationship (QSAR) model for disinfection byproduct (DBP) research: a review of methods and resources","volume":"299","author":"Chen","year":"2015","journal-title":"J. Hazard. Mater."},{"key":"10.1016\/j.scitotenv.2024.174739_bb0010","doi-asserted-by":"crossref","first-page":"65","DOI":"10.1016\/j.scitotenv.2015.09.006","article-title":"Site-specific water quality criteria for aquatic ecosystems: a case study of pentachlorophenol for Tai Lake, China","volume":"541","author":"Chen","year":"2016","journal-title":"Sci. Total Environ."},{"issue":"1","key":"10.1016\/j.scitotenv.2024.174739_bb0015","doi-asserted-by":"crossref","first-page":"47","DOI":"10.1186\/s12989-022-00489-4","article-title":"Development of a multi-route physiologically based pharmacokinetic (PBPK) model for nanomaterials: a comparison between a traditional versus a new route-specific approach using gold nanoparticles in rats","volume":"19","author":"Chou","year":"2022","journal-title":"Part. Fibre Toxicol."},{"key":"10.1016\/j.scitotenv.2024.174739_bb0020","author":"Database, P.P"},{"key":"10.1016\/j.scitotenv.2024.174739_bb0025","doi-asserted-by":"crossref","DOI":"10.1016\/j.watres.2019.115267","article-title":"Advances and limits of two model species for ecotoxicological assessment of carbamazepine, two by-products and their mixture at environmental level in freshwater","volume":"169","author":"Desbiolles","year":"2020","journal-title":"Water Res."},{"key":"10.1016\/j.scitotenv.2024.174739_bb0030","doi-asserted-by":"crossref","DOI":"10.1016\/j.scitotenv.2023.169599","article-title":"Multiple criteria decision analysis to support the design of safe and sustainable chemicals and materials","volume":"916","author":"Dias","year":"2024","journal-title":"Sci. Total Environ."},{"key":"10.1016\/j.scitotenv.2024.174739_bb0035","doi-asserted-by":"crossref","first-page":"21","DOI":"10.1016\/j.jhazmat.2015.10.027","article-title":"Derivation of soil thresholds for lead applying species sensitivity distribution: a case study for root vegetables","volume":"303","author":"Ding","year":"2016","journal-title":"J. Hazard. Mater."},{"key":"10.1016\/j.scitotenv.2024.174739_bb0040","doi-asserted-by":"crossref","first-page":"34622","DOI":"10.1007\/s11356-019-06546-4","article-title":"Deriving water quality criteria for China for the organophosphorus pesticides dichlorvos and malathion","volume":"26","author":"Ding","year":"2019","journal-title":"Environ. Sci. Pollut. Res."},{"key":"10.1016\/j.scitotenv.2024.174739_bb0045","doi-asserted-by":"crossref","first-page":"7","DOI":"10.1016\/j.ecoenv.2019.109881","article-title":"Aquatic life criteria derivation and ecological risk assessment of DEET in China","volume":"188","author":"Gao","year":"2020","journal-title":"Ecotoxicol. Environ. Saf."},{"issue":"3","key":"10.1016\/j.scitotenv.2024.174739_bb0050","doi-asserted-by":"crossref","first-page":"156","DOI":"10.2166\/wqrj.2018.035","article-title":"The derivation of water quality criteria for bisphenol A for the protection of marine species in China","volume":"53","author":"Guan","year":"2018","journal-title":"Water Qual. Res. J. Can."},{"key":"10.1016\/j.scitotenv.2024.174739_bb0055","doi-asserted-by":"crossref","first-page":"133","DOI":"10.1016\/j.chemosphere.2015.06.001","article-title":"Ecological risk assessment of bisphenol A in surface waters of China based on both traditional and reproductive endpoints","volume":"139","author":"Guo","year":"2015","journal-title":"Chemosphere"},{"issue":"1","key":"10.1016\/j.scitotenv.2024.174739_bb0060","doi-asserted-by":"crossref","first-page":"896","DOI":"10.1007\/s11356-017-0498-9","article-title":"QSAR modeling in ecotoxicological risk assessment: application to the prediction of acute contact toxicity of pesticides on bees (Apis mellifera L.)","volume":"25","author":"Hamadache","year":"2018","journal-title":"Environ. Sci. Pollut. Res."},{"key":"10.1016\/j.scitotenv.2024.174739_bb0065","doi-asserted-by":"crossref","first-page":"223","DOI":"10.1016\/j.chemosphere.2017.11.029","article-title":"Derivation of aquatic predicted no-effect concentration (PNEC) for ibuprofen and sulfamethoxazole based on various toxicity endpoints and the associated risks","volume":"193","author":"Huang","year":"2018","journal-title":"Chemosphere"},{"issue":"35","key":"10.1016\/j.scitotenv.2024.174739_bb0070","doi-asserted-by":"crossref","first-page":"35420","DOI":"10.1007\/s11356-018-3434-8","article-title":"QSAR model for predicting the toxicity of organic compounds to fathead minnow","volume":"25","author":"Jia","year":"2018","journal-title":"Environ. Sci. Pollut. Res."},{"key":"10.1016\/j.scitotenv.2024.174739_bb0075","doi-asserted-by":"crossref","DOI":"10.1016\/j.ecoenv.2020.110309","article-title":"Chronic toxicity of endocrine disrupting chemicals used in plastic products in Korean resident species: implications for aquatic ecological risk assessment","volume":"192","author":"Jung","year":"2020","journal-title":"Ecotoxicol. Environ. Saf."},{"issue":"1\u20133","key":"10.1016\/j.scitotenv.2024.174739_bb0080","doi-asserted-by":"crossref","first-page":"344","DOI":"10.1016\/j.jhazmat.2009.12.038","article-title":"QSAR modeling of toxicity of diverse organic chemicals to Daphnia magna using 2D and 3D descriptors","volume":"177","author":"Kar","year":"2010","journal-title":"J. Hazard. Mater."},{"key":"10.1016\/j.scitotenv.2024.174739_bb0085","doi-asserted-by":"crossref","first-page":"162","DOI":"10.1016\/j.aquatox.2019.05.011","article-title":"Ecotoxicological QSAR modeling of organic compounds against fish: application of fragment based descriptors in feature analysis","volume":"212","author":"Khan","year":"2019","journal-title":"Aquat. Toxicol."},{"key":"10.1016\/j.scitotenv.2024.174739_bb0090","doi-asserted-by":"crossref","first-page":"287","DOI":"10.1016\/j.ecoenv.2018.10.060","article-title":"Consensus QSAR modeling of toxicity of pharmaceuticals to different aquatic organisms: ranking and prioritization of the DrugBank database compounds","volume":"168","author":"Khan","year":"2019","journal-title":"Ecotoxicol. Environ. Saf."},{"key":"10.1016\/j.scitotenv.2024.174739_bb0095","doi-asserted-by":"crossref","first-page":"707","DOI":"10.1016\/j.jhazmat.2019.02.019","article-title":"Ecotoxicological QSAR modeling of endocrine disruptor chemicals","volume":"369","author":"Khan","year":"2019","journal-title":"J. Hazard. Mater."},{"issue":"7","key":"10.1016\/j.scitotenv.2024.174739_bb0100","doi-asserted-by":"crossref","first-page":"1815","DOI":"10.1002\/etc.3336","article-title":"Derivation of water quality guidelines for priority pharmaceuticals","volume":"35","author":"Kumar","year":"2016","journal-title":"Environ. Toxicol. Chem."},{"key":"10.1016\/j.scitotenv.2024.174739_bb0105","doi-asserted-by":"crossref","first-page":"10","DOI":"10.1016\/j.chemosphere.2016.09.068","article-title":"Oxidative stress intensity-related effects of cadmium (Cd) and paraquat (PQ) on UV-damaged-DNA binding and excision repair activities in zebrafish (Dank rerio) embryos","volume":"167","author":"Ling","year":"2017","journal-title":"Chemosphere"},{"issue":"3","key":"10.1016\/j.scitotenv.2024.174739_bb0110","doi-asserted-by":"crossref","first-page":"964","DOI":"10.1021\/ci020377j","article-title":"VSMP: a novel variable selection and modeling method based on the prediction","volume":"43","author":"Liu","year":"2003","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"10.1016\/j.scitotenv.2024.174739_bb0115","doi-asserted-by":"crossref","first-page":"11","DOI":"10.1016\/j.envint.2019.105454","article-title":"Ecological risk assessment of fifty pharmaceuticals and personal care products (PPCPs) in Chinese surface waters: a proposed multiple-level system","volume":"136","author":"Liu","year":"2020","journal-title":"Environ. Int."},{"key":"10.1016\/j.scitotenv.2024.174739_bb0120","doi-asserted-by":"crossref","first-page":"121380","DOI":"10.1016\/j.jhazmat.2019.121380","article-title":"Conlecs: a novel procedure for deriving the concentration limits of chemicals outside the criteria of human drinking water using existing criteria and species sensitivity distribution based on quantitative structure-activity relationship prediction","volume":"384","author":"Lu","year":"2020","journal-title":"J. Hazard. Mater."},{"key":"10.1016\/j.scitotenv.2024.174739_bb0125","first-page":"209","article-title":"A generic model based on the properties of nanoparticles and cells for predicting cellular uptake","author":"Lu","year":"2022","journal-title":"Colloids Surf. B: Biointerfaces"},{"key":"10.1016\/j.scitotenv.2024.174739_bb0130","doi-asserted-by":"crossref","first-page":"50","DOI":"10.1016\/j.envpol.2014.01.011","article-title":"Predicting criteria continuous concentrations of 34 metals or metalloids by use of quantitative ion character-activity relationships-species sensitivity distributions (QICAR-SSD) model","volume":"188","author":"Mu","year":"2014","journal-title":"Environ. Pollut."},{"issue":"32","key":"10.1016\/j.scitotenv.2024.174739_bb0140","doi-asserted-by":"crossref","first-page":"25276","DOI":"10.1007\/s11356-017-0168-y","article-title":"The relative sensitivity of freshwater species to antimony(III): implications for water quality guidelines and ecological risk assessments","volume":"24","author":"Obiakor","year":"2017","journal-title":"Environ. Sci. Pollut. Res."},{"key":"10.1016\/j.scitotenv.2024.174739_bb0145","first-page":"1","article-title":"Predicting the cytotoxicity of disinfection by-products to Chinese hamster ovary by using linear quantitative structure-activity relationship models","author":"Qin","year":"2019","journal-title":"Environ. Sci. Pollut. Res. Int."},{"issue":"6","key":"10.1016\/j.scitotenv.2024.174739_bb0150","doi-asserted-by":"crossref","first-page":"2345","DOI":"10.1021\/ci700157b","article-title":"y-Randomization and its variants in QSPR\/QSAR","volume":"47","author":"Ruecker","year":"2007","journal-title":"J. Chem. Inf. Model."},{"issue":"11","key":"10.1016\/j.scitotenv.2024.174739_bb0155","doi-asserted-by":"crossref","first-page":"3034","DOI":"10.1002\/etc.3871","article-title":"Estimation of vanadium water quality benchmarks for the protection of aquatic life with relevance to the Athabasca Oil Sands region using species sensitivity distributions","volume":"36","author":"Schiffer","year":"2017","journal-title":"Environ. Toxicol. Chem."},{"issue":"10","key":"10.1016\/j.scitotenv.2024.174739_bb0160","doi-asserted-by":"crossref","first-page":"1066","DOI":"10.1021\/jm00280a017","article-title":"Change correlations in structure-activity studies using multiple regression analysis","volume":"15","author":"Topliss","year":"1972","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.scitotenv.2024.174739_bb0165","doi-asserted-by":"crossref","first-page":"893","DOI":"10.1016\/j.jhazmat.2017.11.033","article-title":"A multipronged QSAR approach to predict algal low-toxic-effect concentrations of substituted phenols and anilines","volume":"344","author":"Tugcu","year":"2018","journal-title":"J. Hazard. Mater."},{"key":"10.1016\/j.scitotenv.2024.174739_bb0170","series-title":"Office of water (4607M) (810-R-16-002)","article-title":"Development of estimated quantitation levels for the third six-year review of national primary drinking water regulations","author":"United States Environmental Protection Agency (USEPA)","year":"1983"},{"key":"10.1016\/j.scitotenv.2024.174739_bb0175","series-title":"Guidelines for Deriving Numerical National Water Quality Criteria for the Protection of Aquatic Organisms and Their Uses","author":"United States Environmental Protection Agency (USEPA)","year":"1985"},{"key":"10.1016\/j.scitotenv.2024.174739_bb0180","doi-asserted-by":"crossref","first-page":"1530","DOI":"10.1016\/j.scitotenv.2018.04.033","article-title":"Considerations of nano-QSAR\/QSPR models for nanopesticide risk assessment within the European legislative framework","volume":"634","author":"Villaverde","year":"2018","journal-title":"Sci. Total Environ."},{"issue":"12","key":"10.1016\/j.scitotenv.2024.174739_bb0185","doi-asserted-by":"crossref","first-page":"6572","DOI":"10.1039\/C7RA13220D","article-title":"JSFit: a method for the fitting and prediction of J- and S-shaped concentration-response curves","volume":"8","author":"Wang","year":"2018","journal-title":"RSC Adv."},{"key":"10.1016\/j.scitotenv.2024.174739_bb0190","doi-asserted-by":"crossref","first-page":"713","DOI":"10.1016\/j.ecoenv.2018.08.073","article-title":"Deriving the freshwater quality criteria of BPA, BPF and BPAF for protecting aquatic life","volume":"164","author":"Wang","year":"2018","journal-title":"Ecotoxicol. Environ. Saf."},{"key":"10.1016\/j.scitotenv.2024.174739_bb0195","doi-asserted-by":"crossref","first-page":"81","DOI":"10.1016\/j.chemosphere.2015.05.056","article-title":"Predicting carcinogenicity of organic compounds based on CPDB","volume":"139","author":"Wu","year":"2015","journal-title":"Chemosphere"},{"key":"10.1016\/j.scitotenv.2024.174739_bb0200","doi-asserted-by":"crossref","first-page":"161","DOI":"10.1016\/j.ecoenv.2017.12.062","article-title":"Toxicological responses on cytochrome P450 and metabolic transferases in liver of goldfish (Carassius auratus) exposed to lead and paraquat","volume":"151","author":"Xu","year":"2018","journal-title":"Ecotoxicol. Environ. Saf."},{"key":"10.1016\/j.scitotenv.2024.174739_bb0205","doi-asserted-by":"crossref","first-page":"62","DOI":"10.1016\/j.etap.2017.01.023","article-title":"Inhibition of c-Src protects paraquat induced microvascular endothelial injury by modulating caveolin-1 phosphorylation and caveolae mediated transcellular permeability","volume":"52","author":"Yu","year":"2017","journal-title":"Environ. Toxicol. Pharmacol."},{"issue":"5","key":"10.1016\/j.scitotenv.2024.174739_bb0210","doi-asserted-by":"crossref","first-page":"1984","DOI":"10.1021\/ci060132x","article-title":"A novel automated lazy learning QSAR (ALL-QSAR) approach: method development, applications, and virtual screening of chemical databases using validated ALL-QSAR models","volume":"46","author":"Zhang","year":"2006","journal-title":"J. Chem. Inf. Model."},{"issue":"10","key":"10.1016\/j.scitotenv.2024.174739_bb0215","first-page":"1232","article-title":"PLS variable selection procedure in QSAR study on the performance of organic compounds through polyethylene membrane","volume":"69","author":"Zhang","year":"2011","journal-title":"Acta Chim. Sin."},{"key":"10.1016\/j.scitotenv.2024.174739_bb0220","doi-asserted-by":"crossref","first-page":"130","DOI":"10.1016\/j.ecoenv.2012.11.022","article-title":"Modeling non-monotonic dose-response relationships: model evaluation and hormetic quantities exploration","volume":"89","author":"Zhu","year":"2013","journal-title":"Ecotoxicol. Environ. Saf."},{"key":"10.1016\/j.scitotenv.2024.174739_bb0225","doi-asserted-by":"crossref","first-page":"480","DOI":"10.1016\/j.chemosphere.2019.04.054","article-title":"QSAR modelling for predicting the toxic effects of traditional and derived biomass solvents on a Danio rerio biomodel","volume":"227","author":"Zuriaga","year":"2019","journal-title":"Chemosphere"}],"container-title":["Science of The Total Environment"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0048969724048885?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0048969724048885?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2025,7,15]],"date-time":"2025-07-15T08:58:27Z","timestamp":1752569907000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0048969724048885"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2024,10]]},"references-count":45,"alternative-id":["S0048969724048885"],"URL":"https:\/\/doi.org\/10.1016\/j.scitotenv.2024.174739","relation":{},"ISSN":["0048-9697"],"issn-type":[{"value":"0048-9697","type":"print"}],"subject":[],"published":{"date-parts":[[2024,10]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Derivation of water quality criteria for paraquat, bisphenol A and carbamazepine using quantitative structure-activity relationship and species sensitivity distribution (QSAR-SSD)","name":"articletitle","label":"Article Title"},{"value":"Science of The Total Environment","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.scitotenv.2024.174739","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2024 Elsevier B.V. All rights are reserved, including those for text and data mining, AI training, and similar technologies.","name":"copyright","label":"Copyright"}],"article-number":"174739"}}