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New publicly available chemical query language, CSRML, to support chemotype representations for application to data mining and modeling.
Yang C, Tarkhov A, Marusczyk J, Bienfait B, Gasteiger J, Kleinoeder T, Magdziarz T, Sacher O, Schwab CH, Schwoebel J, Terfloth L, Arvidson K, Richard A, Worth A, Rathman J. Yang C, et al. Among authors: worth a. J Chem Inf Model. 2015 Mar 23;55(3):510-28. doi: 10.1021/ci500667v. Epub 2015 Feb 19. J Chem Inf Model. 2015. PMID: 25647539
Thresholds of Toxicological Concern for cosmetics-related substances: New database, thresholds, and enrichment of chemical space.
Yang C, Barlow SM, Muldoon Jacobs KL, Vitcheva V, Boobis AR, Felter SP, Arvidson KB, Keller D, Cronin MTD, Enoch S, Worth A, Hollnagel HM. Yang C, et al. Among authors: worth a. Food Chem Toxicol. 2017 Nov;109(Pt 1):170-193. doi: 10.1016/j.fct.2017.08.043. Epub 2017 Sep 1. Food Chem Toxicol. 2017. PMID: 28867342 Free article.
COSMOS next generation - A public knowledge base leveraging chemical and biological data to support the regulatory assessment of chemicals.
Yang C, Cronin MTD, Arvidson KB, Bienfait B, Enoch SJ, Heldreth B, Hobocienski B, Muldoon-Jacobs K, Lan Y, Madden JC, Magdziarz T, Marusczyk J, Mostrag A, Nelms M, Neagu D, Przybylak K, Rathman JF, Park J, Richarz AN, Richard AM, Ribeiro JV, Sacher O, Schwab C, Vitcheva V, Volarath P, Worth AP. Yang C, et al. Among authors: worth ap. Comput Toxicol. 2021 Aug;19:100175. doi: 10.1016/j.comtox.2021.100175. Comput Toxicol. 2021. PMID: 34405124 Free PMC article.
Use of computational tools in the field of food safety.
Lo Piparo E, Worth A, Manibusan M, Yang C, Schilter B, Mazzatorta P, Jacobs MN, Steinkellner H, Mohimont L. Lo Piparo E, et al. Among authors: worth a. Regul Toxicol Pharmacol. 2011 Aug;60(3):354-62. doi: 10.1016/j.yrtph.2011.05.003. Epub 2011 May 12. Regul Toxicol Pharmacol. 2011. PMID: 21600952 Review.
Chemical Safety Assessment Using Read-Across: Assessing the Use of Novel Testing Methods to Strengthen the Evidence Base for Decision Making.
Berggren E, Amcoff P, Benigni R, Blackburn K, Carney E, Cronin M, Deluyker H, Gautier F, Judson RS, Kass GE, Keller D, Knight D, Lilienblum W, Mahony C, Rusyn I, Schultz T, Schwarz M, Schüürmann G, White A, Burton J, Lostia AM, Munn S, Worth A. Berggren E, et al. Among authors: worth a. Environ Health Perspect. 2015 Dec;123(12):1232-40. doi: 10.1289/ehp.1409342. Epub 2015 May 8. Environ Health Perspect. 2015. PMID: 25956009 Free PMC article. Review.
CERAPP: Collaborative Estrogen Receptor Activity Prediction Project.
Mansouri K, Abdelaziz A, Rybacka A, Roncaglioni A, Tropsha A, Varnek A, Zakharov A, Worth A, Richard AM, Grulke CM, Trisciuzzi D, Fourches D, Horvath D, Benfenati E, Muratov E, Wedebye EB, Grisoni F, Mangiatordi GF, Incisivo GM, Hong H, Ng HW, Tetko IV, Balabin I, Kancherla J, Shen J, Burton J, Nicklaus M, Cassotti M, Nikolov NG, Nicolotti O, Andersson PL, Zang Q, Politi R, Beger RD, Todeschini R, Huang R, Farag S, Rosenberg SA, Slavov S, Hu X, Judson RS. Mansouri K, et al. Among authors: worth a. Environ Health Perspect. 2016 Jul;124(7):1023-33. doi: 10.1289/ehp.1510267. Epub 2016 Feb 23. Environ Health Perspect. 2016. PMID: 26908244 Free PMC article.
All predictions were evaluated on a set of 7,522 chemicals curated from the literature. To overcome the limitations of single models, a consensus was built by weighting models on scores based on their evaluated accuracies. ...CITATION: Mansouri K, Abdelaziz A …
All predictions were evaluated on a set of 7,522 chemicals curated from the literature. To overcome the limitations of single models, …
635 results