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Making reliable negative predictions of human skin sensitisation using an in silico fragmentation approach.
Chilton ML, Macmillan DS, Steger-Hartmann T, Hillegass J, Bellion P, Vuorinen A, Etter S, Smith BPC, White A, Sterchele P, De Smedt A, Glogovac M, Glowienke S, O'Brien D, Parakhia R. Chilton ML, et al. Among authors: smith bpc. Regul Toxicol Pharmacol. 2018 Jun;95:227-235. doi: 10.1016/j.yrtph.2018.03.015. Epub 2018 Mar 24. Regul Toxicol Pharmacol. 2018. PMID: 29580972
A quantitative in silico model for predicting skin sensitization using a nearest neighbours approach within expert-derived structure-activity alert spaces.
Canipa SJ, Chilton ML, Hemingway R, Macmillan DS, Myden A, Plante JP, Tennant RE, Vessey JD, Steger-Hartmann T, Gould J, Hillegass J, Etter S, Smith BPC, White A, Sterchele P, De Smedt A, O'Brien D, Parakhia R. Canipa SJ, et al. Among authors: smith bpc. J Appl Toxicol. 2017 Aug;37(8):985-995. doi: 10.1002/jat.3448. Epub 2017 Feb 28. J Appl Toxicol. 2017. PMID: 28244128
The BlueScreen HC assay to predict the genotoxic potential of fragrance materials.
Thakkar Y, Joshi K, Hickey C, Wahler J, Wall B, Etter S, Smith B, Griem P, Tate M, Jones F, Oudraogo G, Pfuhler S, Choi C, Williams G, Greim H, Eisenbrand G, Dekant W, Api AM. Thakkar Y, et al. Mutagenesis. 2022 Apr 2;37(1):13-23. doi: 10.1093/mutage/geac004. Mutagenesis. 2022. PMID: 35302169 Free PMC article.
31 results