Title: In silico toxicology protocols
Authors: MYATT GLENNAHLBERG ERNSTAKAHORI YUMIALLEN DAVIDAMBERG ALEXANDERANGER LENNART TAPTULA AYNURAUERBACH SCOTTBEILKE LISA D.BELLION PHILLIPBENIGNI ROMUALDOBERCU JOELBOOTH EWAN DBOWER DAVEBRIGO ALESSANDROBURDEN NATALIECAMMERER ZORYANACRONIN MARKCROSS KEVIN P.CUSTER LAURADETTWILER MAGDALENADOBO KRISTAFORD KEVIN A.FORTIN MARI CGAD-MCDONALD SAMANTHA EGELLATLY NICHOLAGERVAIS VÉRONIQUEGLOVER KYLE PGLOWIENKE SUSANNEVAN GOMPEL JACKYGUTSELL STEVEHARDY BARRYHARVEY JAMESHILLEGASS JEDDHONMA MASAMITSUHSIEH JUI-HUAHSU CHIA-WENHUGHES KATHYJOHNSON CANDICEJOLLY ROBERTJONES DAVIDKEMPER RAYKENYON MICHELLEKIM MARLENE TKRUHLAK NAOMIKULKARNI SUNIL AKUEMMERER KLAUSLEAVITT PENNYMAJER BERNHARDMASTEN SCOTTMILLER SCOTTMOSER JANETMUMTAZ MOIZMUSTER WOLFGANGNEILSON LOUISEOPREA TUDOR L.PATLEWICZ GRACEPAULINO ALEXANDRELO PIPARO ELENAPOWLEY MARKQUIGLEY DONALD P.REDDY M VIJAYARAJRICHARZ ANDREARUIZ PATRICIASCHILTER BENOÎTSERAFIMOVA ROSITSASIMPSON WENDYSTAVITSKAYA LIDIYASTIDL REINHARDSUAREZ-RODRIGUEZ DIANASZABO DAVID TTEASDALE ANDREWTREJO-MARTIN ALEJANDRAVALENTIN JEAN-PIERREVUORINEN ANNAWALL BRIAN AWATTS PETEWHITE ANGELAWICHARD JOERGWITT KRISTINEWOOLLEY ADAMWOOLLEY DAVIDZWICKL CRAIGHASSELGREN CATRIN
Citation: REGULATORY TOXICOLOGY AND PHARMACOLOGY vol. 96 p. 1-17
Publisher: ACADEMIC PRESS INC ELSEVIER SCIENCE
Publication Year: 2018
JRC N°: JRC107447
ISSN: 0273-2300
URI: http://publications.jrc.ec.europa.eu/repository/handle/JRC107447
DOI: 10.1016/j.yrtph.2018.04.014
Type: Articles in periodicals and books
Abstract: 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.
JRC Directorate:Health, Consumers and Reference Materials

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