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. 2022:2425:419-434.
doi: 10.1007/978-1-0716-1960-5_16.

Implementation of In Silico Toxicology Protocols in Leadscope

Kevin Cross  1 , Candice Johnson  1 , Glenn J Myatt  2
Affiliations

Implementation of In Silico Toxicology Protocols in Leadscope

Kevin Cross et al. Methods Mol Biol. 2022.

Abstract

In silico toxicology protocols help ensure the results from computational toxicology models are performed and documented in a standardized, consistent, transparent, and accepted manner. In silico toxicology protocols for skin sensitization and genetic toxicology have been previously published and have been implemented within the Leadscope software. The following chapter outlines how such protocols have been deployed in the Leadscope platform including integration with toxicology databases and a battery of computational toxicology models.

Keywords: Alerts; Computational Toxicology; Genetic Toxicology; In silico; Protocols; QSAR; Skin Sensitization.

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References

    1. ICH M7 (2017) Assessment and control of DNA reactive (Mutagenic) impurities in pharmaceuticals to limit potential carcinogenic risk. https://database.ich.org/sites/default/files/M7_R1_Guideline.pdf . Accessed 30 Mar 2021
    1. OECD (2021) OECD guidelines for the testing of chemicals. http://www.oecd.org/chemicalsafety/testing/oecdguidelinesforthetestingof... . Accessed 30 Mar 2021
    1. 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, Gompel JV, 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, Piparo EL, 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 (2018) In silico toxicology protocols. Regul Toxicol Pharmacol 96:1–17. https://doi.org/10.1016/j.yrtph.2018.04.014 - DOI - PubMed - PMC
    1. 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, Gidding 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, Parentys 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 (2020) Skin sensitization in silico protocol. Regul Toxicol Pharmacol 116:104688. https://doi.org/10.1016/j.yrtph.2020.104688 - DOI - PubMed - PMC
    1. 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, Gompel JV, 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, Piparo EL, 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 (2019) Genetic toxicology in silico protocol. Regul Toxicol Pharmacol 107:104403. https://doi.org/10.1016/j.yrtph.2019.104403 - DOI - PubMed - PMC

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