In silico toxicology protocols

Autor: Kyle P. Glover, Yumi Akahori, Michelle O. Kenyon, David Jones, Angela White, Patricia Ruiz, Dave Bower, Mark Powley, Janet Moser, Naomi L. Kruhlak, Diana Suarez-Rodriguez, Laura Custer, Chia Wen Hsu, Masamitsu Honma, Joel P. Bercu, Steve Gutsell, Krista L. Dobo, Bernhard Majer, Andrew Teasdale, Lidiya Stavitskaya, Aynur O. Aptula, Barry Hardy, Candice Y. Johnson, Scott S. Auerbach, Nichola Gellatly, Rositsa Serafimova, David Allen, Samantha E. Gad-McDonald, Alessandro Brigo, Lennart T. Anger, Kevin P. Cross, Pete Watts, Louise Neilson, Wendy Simpson, Jedd Hillegass, Véronique Gervais, Penny Leavitt, Jui-Hua Hsieh, Kristine L. Witt, Reinhard Stidl, Magdalena Dettwiler, K. Hughes, Romualdo Benigni, Lisa Beilke, Marlene T. Kim, Scott A. Masten, Adam Woolley, Phillip Bellion, Kevin A. Ford, David T. Szabo, Alexander Amberg, Anna Vuorinen, Brian A. Wall, Mark T. D. Cronin, Marie C. Fortin, Zoryana Cammerer, Benoît Schilter, Glenn J. Myatt, Klaus Kümmerer, Ernst Ahlberg, Grace Patlewicz, M. Vijayaraj Reddy, Craig Zwickl, Donald P. Quigley, David Woolley, Tudor I. Oprea, Jacky Van Gompel, Ewan D. Booth, Alexandre Paulino, Wolfgang Muster, Sunil Kulkarni, Alejandra Trejo-Martin, Moiz Mumtaz, Andrea Richarz, Joerg Wichard, James Harvey, Susanne Glowienke, Elena Lo Piparo, Natalie Burden, Catrin Hasselgren, Jean Pierre Valentin, Robert A. Jolly, Scott Miller, Ray Kemper
Rok vydání: 2018
Předmět:
Zdroj: Myatt, G J, Ahlberg, E, Akahori, Y, Allen, D, Amberg, A, Anger, L T, Aptula, A, Auerbach, S, Beilke, L, Bellion, P, Benigni, R, Bercu, J, Booth, E D, Bower, D, Brigo, A, Burden, N, Cammerer, Z, Cronin, M T D, Cross, K P, Custer, L, Dettwiler, M, Dobo, K, Ford, K A, Fortin, M C, Gad-McDonald, S E, Gellatly, N, Gervais, V, Glover, K P, Glowienke, S, Van Gompel, J, Gutsell, S, Hardy, B, Harvey, J S, Hillegass, J, Honma, M, Hsieh, J H, Hsu, C W, Hughes, K, Johnson, C, Jolly, R, Jones, D, Kemper, R, Kenyon, M O, Kim, M T, Kruhlak, N L, Kulkarni, S A, Kümmerer, K, Leavitt, P, Majer, B, Masten, S, Miller, S, Moser, J, Mumtaz, M, Muster, W, Neilson, L, Oprea, T I, Patlewicz, G, Paulino, A, Lo Piparo, E, Powley, M, Quigley, D P, Reddy, M V, Richarz, A N, Ruiz, P, Schilter, B, Serafimova, R, Simpson, W, Stavitskaya, L, Stidl, R, Suarez-Rodriguez, D, Szabo, D T, Teasdale, A, Trejo-Martin, A, Valentin, J P, Vuorinen, A, Wall, B A, Watts, P, White, A T, Wichard, J, Witt, K L, Woolley, A, Woolley, D, Zwickl, C & Hasselgren, C 2018, ' In silico toxicology protocols ' Regulatory toxicology and pharmacology : RTP, vol 96, pp. 1-17 . DOI: 10.1016/j.yrtph.2018.04.014
Myatt, G J, Ahlberg, E, Akahori, Y, Allen, D, Amberg, A, Anger, L T, Aptula, A, Auerbach, S, Beilke, L, Bellion, P, Benigni, R, Bercu, J, Booth, E D, Bower, D, Brigo, A, Burden, N, Cammerer, Z, Cronin, M T D, Cross, K P, Custer, L, Dettwiler, M, Dobo, K, Ford, K A, Fortin, M C, Gad-McDonald, S E, Gellatly, N, Gervais, V, Glover, K P, Glowienke, S, Van Gompel, J, Gutsell, S, Hardy, B, Harvey, J S, Hillegass, J, Honma, M, Hsieh, J H, Hsu, C W, Hughes, K, Johnson, C, Jolly, R, Jones, D, Kemper, R, Kenyon, M O, Kim, M T, Kruhlak, N L, Kulkarni, S A, Kümmerer, K, Leavitt, P, Majer, B, Masten, S, Miller, S, Moser, J, Mumtaz, M, Muster, W, Neilson, L, Oprea, T I, Patlewicz, G, Paulino, A, Lo Piparo, E, Powley, M, Quigley, D P, Reddy, M V, Richarz, A N, Ruiz, P, Schilter, B, Serafimova, R, Simpson, W, Stavitskaya, L, Stidl, R, Suarez-Rodriguez, D, Szabo, D T, Teasdale, A, Trejo-Martin, A, Valentin, J P, Vuorinen, A, Wall, B A, Watts, P, White, A T, Wichard, J, Witt, K L, Woolley, A, Woolley, D, Zwickl, C & Hasselgren, C 2018, ' In silico toxicology protocols ', Regulatory toxicology and pharmacology : RTP, vol. 96, pp. 1-17 . https://doi.org/10.1016/j.yrtph.2018.04.014
ISSN: 0273-2300
Popis: The present publication surveys several applications of in silico (i.e., computational) toxicology approaches across different industries and institutions. It highlights the need to develop standardized protocols when conducting toxicity-related predictions. This contribution articulates the information needed for protocols to support in silico predictions for major toxicological endpoints of concern (e.g., genetic toxicity, carcinogenicity, acute toxicity, reproductive toxicity, developmental toxicity) across several industries and regulatory bodies. Such novel in silico toxicology (IST) protocols, when fully developed and implemented, will ensure in silico toxicological assessments are performed and evaluated in a consistent, reproducible, and well-documented manner across industries and regulatory bodies to support wider uptake and acceptance of the approaches. The development of IST protocols is an initiative developed through a collaboration among an international consortium to reflect the state-of-the-art in in silico toxicology for hazard identification and characterization. A general outline for describing the development of such protocols is included and it is based on in silico predictions and/or available experimental data for a defined series of relevant toxicological effects or mechanisms. The publication presents a novel approach for determining the reliability of in silico predictions alongside experimental data. In addition, we discuss how to determine the level of confidence in the assessment based on the relevance and reliability of the information.
Databáze: OpenAIRE
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