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Page 1
In silico toxicology protocols.
Myatt GJ, Ahlberg E, Akahori Y, Allen D, Amberg A, Anger LT, Aptula A, Auerbach S, Beilke L, Bellion P, Benigni R, Bercu J, Booth ED, Bower D, Brigo A, Burden N, Cammerer Z, Cronin MTD, Cross KP, Custer L, Dettwiler M, Dobo K, Ford KA, Fortin MC, Gad-McDonald SE, Gellatly N, Gervais V, Glover KP, Glowienke S, Van Gompel J, Gutsell S, Hardy B, Harvey JS, Hillegass J, Honma M, Hsieh JH, Hsu CW, Hughes K, Johnson C, Jolly R, Jones D, Kemper R, Kenyon MO, Kim MT, Kruhlak NL, Kulkarni SA, Kümmerer K, Leavitt P, Majer B, Masten S, Miller S, Moser J, Mumtaz M, Muster W, Neilson L, Oprea TI, Patlewicz G, Paulino A, Lo Piparo E, Powley M, Quigley DP, Reddy MV, Richarz AN, Ruiz P, Schilter B, Serafimova R, Simpson W, Stavitskaya L, Stidl R, Suarez-Rodriguez D, Szabo DT, Teasdale A, Trejo-Martin A, Valentin JP, Vuorinen A, Wall BA, Watts P, White AT, Wichard J, Witt KL, Woolley A, Woolley D, Zwickl C, Hasselgren C. Myatt GJ, et al. Among authors: ahlberg e. Regul Toxicol Pharmacol. 2018 Jul;96:1-17. doi: 10.1016/j.yrtph.2018.04.014. Epub 2018 Apr 17. Regul Toxicol Pharmacol. 2018. PMID: 29678766 Free PMC article.
Skin sensitization in silico protocol.
Johnson C, Ahlberg E, Anger LT, Beilke L, Benigni R, Bercu J, Bobst S, Bower D, Brigo A, Campbell S, Cronin MTD, Crooks I, Cross KP, Doktorova T, Exner T, Faulkner D, Fearon IM, Fehr M, Gad SC, Gervais V, Giddings A, Glowienke S, Hardy B, Hasselgren C, Hillegass J, Jolly R, Krupp E, Lomnitski L, Magby J, Mestres J, Milchak L, Miller S, Muster W, Neilson L, Parakhia R, Parenty A, Parris P, Paulino A, Paulino AT, Roberts DW, Schlecker H, Stidl R, Suarez-Rodrigez D, Szabo DT, Tice RR, Urbisch D, Vuorinen A, Wall B, Weiler T, White AT, Whritenour J, Wichard J, Woolley D, Zwickl C, Myatt GJ. Johnson C, et al. Among authors: ahlberg e. Regul Toxicol Pharmacol. 2020 Oct;116:104688. doi: 10.1016/j.yrtph.2020.104688. Epub 2020 Jul 1. Regul Toxicol Pharmacol. 2020. PMID: 32621976 Free PMC article.
Genetic toxicology in silico protocol.
Hasselgren C, Ahlberg E, Akahori Y, Amberg A, Anger LT, Atienzar F, Auerbach S, Beilke L, Bellion P, Benigni R, Bercu J, Booth ED, Bower D, Brigo A, Cammerer Z, Cronin MTD, Crooks I, Cross KP, Custer L, Dobo K, Doktorova T, Faulkner D, Ford KA, Fortin MC, Frericks M, Gad-McDonald SE, Gellatly N, Gerets H, Gervais V, Glowienke S, Van Gompel J, Harvey JS, Hillegass J, Honma M, Hsieh JH, Hsu CW, Barton-Maclaren TS, Johnson C, Jolly R, Jones D, Kemper R, Kenyon MO, Kruhlak NL, Kulkarni SA, Kümmerer K, Leavitt P, Masten S, Miller S, Moudgal C, Muster W, Paulino A, Lo Piparo E, Powley M, Quigley DP, Reddy MV, Richarz AN, Schilter B, Snyder RD, Stavitskaya L, Stidl R, Szabo DT, Teasdale A, Tice RR, Trejo-Martin A, Vuorinen A, Wall BA, Watts P, White AT, Wichard J, Witt KL, Woolley A, Woolley D, Zwickl C, Myatt GJ. Hasselgren C, et al. Among authors: ahlberg e. Regul Toxicol Pharmacol. 2019 Oct;107:104403. doi: 10.1016/j.yrtph.2019.104403. Epub 2019 Jun 11. Regul Toxicol Pharmacol. 2019. PMID: 31195068 Free PMC article.
Deconvoluting Kinase Inhibitor Induced Cardiotoxicity.
Lamore SD, Ahlberg E, Boyer S, Lamb ML, Hortigon-Vinagre MP, Rodriguez V, Smith GL, Sagemark J, Carlsson L, Bates SM, Choy AL, Stålring J, Scott CW, Peters MF. Lamore SD, et al. Among authors: ahlberg e. Toxicol Sci. 2017 Jul 1;158(1):213-226. doi: 10.1093/toxsci/kfx082. Toxicol Sci. 2017. PMID: 28453775 Free PMC article.
Machine Learning Strategies When Transitioning between Biological Assays.
Arvidsson McShane S, Ahlberg E, Noeske T, Spjuth O. Arvidsson McShane S, et al. Among authors: ahlberg e. J Chem Inf Model. 2021 Jul 26;61(7):3722-3733. doi: 10.1021/acs.jcim.1c00293. Epub 2021 Jun 21. J Chem Inf Model. 2021. PMID: 34152755 Free PMC article.
How to Predict the pK a of Any Compound in Any Solvent.
Busch M, Ahlberg E, Ahlberg E, Laasonen K. Busch M, et al. Among authors: ahlberg e. ACS Omega. 2022 May 9;7(20):17369-17383. doi: 10.1021/acsomega.2c01393. eCollection 2022 May 24. ACS Omega. 2022. PMID: 35647457 Free PMC article.
Accurate Hit Estimation for Iterative Screening Using Venn-ABERS Predictors.
Buendia R, Kogej T, Engkvist O, Carlsson L, Linusson H, Johansson U, Toccaceli P, Ahlberg E. Buendia R, et al. Among authors: ahlberg e. J Chem Inf Model. 2019 Mar 25;59(3):1230-1237. doi: 10.1021/acs.jcim.8b00724. Epub 2019 Feb 22. J Chem Inf Model. 2019. PMID: 30726080
Principles and Procedures for Assessment of Acute Toxicity Incorporating In Silico Methods.
Zwickl CM, Graham J, Jolly R, Bassan A, Ahlberg E, Amberg A, Anger LT, Barton-Maclaren T, Beilke L, Bellion P, Brigo A, Cronin MTD, Custer L, Devlin A, Burleigh-Flayers H, Fish T, Glover K, Glowienke S, Gromek K, Jones D, Karmaus A, Kemper R, Piparo EL, Madia F, Martin M, Masuda-Herrera M, McAtee B, Mestre J, Milchak L, Moudgal C, Mumtaz M, Muster W, Neilson L, Patlewicz G, Paulino A, Roncaglioni A, Ruiz P, Suarez D, Szabo DT, Valentin JP, Vardakou I, Woolley D, Myatt G. Zwickl CM, et al. Among authors: ahlberg e. Comput Toxicol. 2022 Nov;24:100237. doi: 10.1016/j.comtox.2022.100237. Epub 2022 Jul 14. Comput Toxicol. 2022. PMID: 36818760 Free PMC article.
18 results