Roberts DW - Search Results

1

Updating Reaction Mechanistic Domains for Skin Sensitization: 1. Nucleophilic Skin Sensitizers.

Roberts DW, Api AM, Aptula A, Lee I, Moustakas H. Roberts DW, et al. Chem Res Toxicol. 2024 Nov 18;37(11):1757-1768. doi: 10.1021/acs.chemrestox.4c00207. Epub 2024 Sep 11. Chem Res Toxicol. 2024. PMID: 39259600 Review.

2

From experiment to theory: molecular orbital parameters to interpret the skin sensitization potential of 5-chloro-2-methylisothiazol-3-one and 2-methylisothiazol-3-one.

Aptula AO, Roberts DW, Cronin MT. Aptula AO, et al. Among authors: roberts dw. Chem Res Toxicol. 2005 Feb;18(2):324-9. doi: 10.1021/tx049715w. Chem Res Toxicol. 2005. PMID: 15720139

3

Skin sensitization: reaction mechanistic applicability domains for structure-activity relationships.

Aptula AO, Patlewicz G, Roberts DW. Aptula AO, et al. Among authors: roberts dw. Chem Res Toxicol. 2005 Sep;18(9):1420-6. doi: 10.1021/tx050075m. Chem Res Toxicol. 2005. PMID: 16167834

4

Mechanistic applicability domains for nonanimal-based prediction of toxicological end points: general principles and application to reactive toxicity.

Aptula AO, Roberts DW. Aptula AO, et al. Among authors: roberts dw. Chem Res Toxicol. 2006 Aug;19(8):1097-105. doi: 10.1021/tx0601004. Chem Res Toxicol. 2006. PMID: 16918251

5

Mechanistic applicability domains for non-animal based prediction of toxicological endpoints. QSAR analysis of the schiff base applicability domain for skin sensitization.

Roberts DW, Aptula AO, Patlewicz G. Roberts DW, et al. Chem Res Toxicol. 2006 Sep;19(9):1228-33. doi: 10.1021/tx060102o. Chem Res Toxicol. 2006. PMID: 16978028

6

Electrophilic chemistry related to skin sensitization. Reaction mechanistic applicability domain classification for a published data set of 106 chemicals tested in the mouse local lymph node assay.

Roberts DW, Aptula AO, Patlewicz G. Roberts DW, et al. Chem Res Toxicol. 2007 Jan;20(1):44-60. doi: 10.1021/tx060121y. Chem Res Toxicol. 2007. PMID: 17226926 Review.

7

Mechanistic applicability domain classification of a local lymph node assay dataset for skin sensitization.

Roberts DW, Patlewicz G, Kern PS, Gerberick F, Kimber I, Dearman RJ, Ryan CA, Basketter DA, Aptula AO. Roberts DW, et al. Chem Res Toxicol. 2007 Jul;20(7):1019-30. doi: 10.1021/tx700024w. Epub 2007 Jun 8. Chem Res Toxicol. 2007. PMID: 17555332

8

Chemical mechanisms for skin sensitization by aromatic compounds with hydroxy and amino groups.

Aptula AO, Enoch SJ, Roberts DW. Aptula AO, et al. Among authors: roberts dw. Chem Res Toxicol. 2009 Sep;22(9):1541-7. doi: 10.1021/tx9000336. Chem Res Toxicol. 2009. PMID: 19678610

9

Chemistry-based risk assessment for skin sensitization: quantitative mechanistic modeling for the S(N)Ar domain.

Roberts DW, Aptula AO, Patlewicz GY. Roberts DW, et al. Chem Res Toxicol. 2011 Jul 18;24(7):1003-11. doi: 10.1021/tx100420w. Epub 2011 Jun 23. Chem Res Toxicol. 2011. PMID: 21671633

10

Electrophilic reactivity and skin sensitization potency of SNAr electrophiles.

Roberts DW, Aptula AO. Roberts DW, et al. Chem Res Toxicol. 2014 Feb 17;27(2):240-6. doi: 10.1021/tx400355n. Epub 2014 Jan 21. Chem Res Toxicol. 2014. PMID: 24397518

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