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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: macmillan ds. J Appl Toxicol. 2017 Aug;37(8):985-995. doi: 10.1002/jat.3448. Epub 2017 Feb 28. J Appl Toxicol. 2017. PMID: 28244128
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: macmillan ds. 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
Use of Lhasa Limited Products for the In Silico Prediction of Drug Toxicity.
Ponting DJ, Burns MJ, Foster RS, Hemingway R, Kocks G, MacMillan DS, Shannon-Little AL, Tennant RE, Tidmarsh JR, Yeo DJ. Ponting DJ, et al. Among authors: macmillan ds. Methods Mol Biol. 2022;2425:435-478. doi: 10.1007/978-1-0716-1960-5_17. Methods Mol Biol. 2022. PMID: 35188642
COVID-19 through Adverse Outcome Pathways: Building networks to better understand the disease - 3rd CIAO AOP Design Workshop.
Clerbaux LA, Amigó N, Amorim MJ, Bal-Price A, Batista Leite S, Beronius A, Bezemer GFG, Bostroem AC, Carusi A, Coecke S, Concha R, Daskalopoulos EP, De Bernardi F, Edrosa E, Edwards SW, Filipovska J, Garcia-Reyero N, Gavins FNE, Halappanavar S, Hargreaves AJ, Hogberg HT, Huynh MT, Jacobson D, Josephs-Spaulding J, Kim YJ, Kong HJ, Krebs CE, Lam A, Landesmann B, Layton A, Lee YO, Macmillan DS, Mantovani A, Margiotta-Casaluci L, Martens M, Masereeuw R, Mayasich SA, Mei LM, Mortensen H, Munoz Pineiro A, Nymark P, Ohayon E, Ojasi J, Paini A, Parissis N, Parvatam S, Pistollato F, Sachana M, Sørli JB, Sullivan KM, Sund J, Tanabe S, Tsaioun K, Vinken M, Viviani L, Waspe J, Willett C, Wittwehr C. Clerbaux LA, et al. Among authors: macmillan ds. ALTEX. 2022;39(2):322–335. doi: 10.14573/altex.2112161. Epub 2022 Jan 3. ALTEX. 2022. PMID: 35032963 Free PMC article.
Updating the Dermal Sensitisation Thresholds using an expanded dataset and an in silico expert system.
Chilton ML, Api AM, Foster RS, Gerberick GF, Lavelle M, Macmillan DS, Na M, O'Brien D, O'Leary-Steele C, Patel M, Ponting DJ, Roberts DW, Safford RJ, Tennant RE. Chilton ML, et al. Among authors: macmillan ds. Regul Toxicol Pharmacol. 2022 Aug;133:105200. doi: 10.1016/j.yrtph.2022.105200. Epub 2022 Jun 1. Regul Toxicol Pharmacol. 2022. PMID: 35662638 Free article.
28 results