. 2018 Jul:96:1-17.

doi: 10.1016/j.yrtph.2018.04.014. Epub 2018 Apr 17.

In silico toxicology protocols

Glenn J Myatt¹, Ernst Ahlberg², Yumi Akahori³, David Allen⁴, Alexander Amberg⁵, Lennart T Anger⁵, Aynur Aptula⁶, Scott Auerbach⁷, Lisa Beilke⁸, Phillip Bellion⁹, Romualdo Benigni¹⁰, Joel Bercu¹¹, Ewan D Booth¹², Dave Bower¹³, Alessandro Brigo¹⁴, Natalie Burden¹⁵, Zoryana Cammerer¹⁶, Mark T D Cronin¹⁷, Kevin P Cross¹³, Laura Custer¹⁸, Magdalena Dettwiler¹⁹, Krista Dobo²⁰, Kevin A Ford²¹, Marie C Fortin²², Samantha E Gad-McDonald²³, Nichola Gellatly¹⁵, Véronique Gervais²⁴, Kyle P Glover²⁵, Susanne Glowienke²⁶, Jacky Van Gompel²⁷, Steve Gutsell⁶, Barry Hardy²⁸, James S Harvey²⁹, Jedd Hillegass¹⁸, Masamitsu Honma³⁰, Jui-Hua Hsieh³¹, Chia-Wen Hsu³², Kathy Hughes³³, Candice Johnson¹³, Robert Jolly³⁴, David Jones³⁵, Ray Kemper³⁶, Michelle O Kenyon²⁰, Marlene T Kim³², Naomi L Kruhlak³², Sunil A Kulkarni³³, Klaus Kümmerer³⁷, Penny Leavitt¹⁸, Bernhard Majer³⁸, Scott Masten⁷, Scott Miller¹³, Janet Moser³⁹, Moiz Mumtaz⁴⁰, Wolfgang Muster¹⁴, Louise Neilson⁴¹, Tudor I Oprea⁴², Grace Patlewicz⁴³, Alexandre Paulino⁴⁴, Elena Lo Piparo⁴⁵, Mark Powley³², Donald P Quigley¹³, M Vijayaraj Reddy⁴⁶, Andrea-Nicole Richarz⁴⁷, Patricia Ruiz⁴⁰, Benoit Schilter⁴⁵, Rositsa Serafimova⁴⁸, Wendy Simpson⁶, Lidiya Stavitskaya³², Reinhard Stidl³⁸, Diana Suarez-Rodriguez⁶, David T Szabo⁴⁹, Andrew Teasdale⁵⁰, Alejandra Trejo-Martin¹¹, Jean-Pierre Valentin⁵¹, Anna Vuorinen⁹, Brian A Wall⁵², Pete Watts⁵³, Angela T White²⁹, Joerg Wichard⁵⁴, Kristine L Witt⁷, Adam Woolley⁵⁵, David Woolley⁵⁵, Craig Zwickl⁵⁶, Catrin Hasselgren¹³

Affiliations

¹ Leadscope, Inc., 1393 Dublin Rd, Columbus, OH 43215, USA. Electronic address: gmyatt@leadscope.com.
² Predictive Compound ADME & Safety, Drug Safety & Metabolism, AstraZeneca IMED Biotech Unit, Mölndal, Sweden.
³ Chemicals Evaluation and Research Institute, 1-4-25 Kouraku, Bunkyo-ku, Tokyo 112-0004 Japan.
⁴ Integrated Laboratory Systems, Inc., Research Triangle Park, NC, USA.
⁵ Sanofi, R&D Preclinical Safety Frankfurt, Industriepark Hoechst, D-65926 Frankfurt am Main, Germany.
⁶ Unilever, Safety and Environmental Assurance Centre, Colworth, Beds, UK.
⁷ The National Institute of Environmental Health Sciences, Division of the National Toxicology Program, Research Triangle Park, NC 27709, USA.
⁸ Toxicology Solutions Inc., San Diego, CA, USA.
⁹ DSM Nutritional Products, Kaiseraugst, Switzerland.
¹⁰ Alpha-PreTox, via G.Pascoli 1, 00184 Roma, Italy.
¹¹ Gilead Sciences, 333 Lakeside Drive, Foster City, CA, USA.
¹² Syngenta, Product Safety Department, Jealott's Hill International Research Centre, Bracknell, Berkshire, RG42 6EY, UK.
¹³ Leadscope, Inc., 1393 Dublin Rd, Columbus, OH 43215, USA.
¹⁴ Roche Pharmaceutical Research & Early Development, Pharmaceutical Sciences, Roche Innovation Center Basel, Switzerland.
¹⁵ National Centre for the Replacement, Refinement and Reduction of Animals in Research (NC3Rs), Gibbs Building, 215 Euston Road, London NW1 2BE, UK.
¹⁶ Janssen Research & Development, 1400 McKean Road, Spring House, PA 19477, USA.
¹⁷ School of Pharmacy and Chemistry, Liverpool John Moores University, Liverpool, L3 3AF, UK.
¹⁸ Bristol-Myers Squibb, Drug Safety Evaluation, 1 Squibb Dr, New Brunswick, NJ 08903, USA.
¹⁹ Elanco Animal Health, Schwarzwaldallee 215, 4058 Basel, Switzerland.
²⁰ Pfizer Global Research & Development, 558 Eastern Point Road, Groton, CT 06340, USA.
²¹ Global Blood Therapeutics, South San Francisco, CA 94080, USA.
²² Department of Pharmacology and Toxicology, Ernest Mario School of Pharmacy, Rutgers, The State University of New Jersey, 170 Frelinghuysen Rd, Piscataway, NJ 08855, USA.
²³ Gad Consulting Services, 4008 Barrett Drive, Suite 201, Raleigh, NC 27609, USA.
²⁴ Biologie Servier, 905 Route de Saran, 45520 Gidy, France.
²⁵ Defense Threat Reduction Agency, Edgewood Chemical Biological Center, Aberdeen Proving Ground, MD 21010, USA.
²⁶ Novartis Pharma AG, Pre-Clinical Safety, Werk Klybeck, CH-4057, Basel, Switzerland.
²⁷ Janssen Pharmaceutical Companies of Johnson & Johnson, 2340 Beerse, Belgium.
²⁸ Douglas Connect GmbH, Technology Park Basel, Hochbergerstrasse 60C, CH-4057 Basel / Basel-Stadt, Switzerland.
²⁹ GlaxoSmithKline Pre-Clinical Development, Park Road, Ware, Hertfordshire, SG12 0DP, UK.
³⁰ National Institute of Health Sciences, Tokyo, Japan.
³¹ Kelly Government Solutions, Research Triangle Park, NC 27709, USA.
³² FDA Center for Drug Evaluation and Research, Silver Spring, MD 20993, USA.
³³ Existing Substances Risk Assessment Bureau, Health Canada, Ottawa, ON, K1A 0K9, Canada.
³⁴ Toxicology Division, Eli Lilly and Company, Indianapolis, IN, USA.
³⁵ Medicines and Healthcare Products Regulatory Agency, 151 Buckingham Palace Road, London, SW1W 9SZ, UK.
³⁶ Vertex Pharmaceuticals Inc., Discovery and Investigative Toxicology, 50 Northern Ave, Boston, MA, USA.
³⁷ Institute for Sustainable and Environmental Chemistry, Leuphana University Lüneburg, Scharnhorststraße 1/C13.311b, 21335 Lüneburg, Germany.
³⁸ Shire, Industriestrasse 20, 1221, Wien, Austria.
³⁹ Chemical Security Analysis Center, Department of Homeland Security, 3401 Ricketts Point Road, Aberdeen Proving Ground, MD 21010-5405, USA; Battelle Memorial Institute, 505 King Avenue, Columbus, OH 43210, USA.
⁴⁰ Agency for Toxic Substances and Disease Registry, US Department of Health and Human Services, Atlanta, GA, USA.
⁴¹ British American Tobacco, Research and Development, Regents Park Road, Southampton, Hampshire, SO15 8TL, UK.
⁴² Translational Informatics Division, Department of Internal Medicine, Health Sciences Center, The University of New Mexico, NM, USA.
⁴³ U.S. Environmental Protection Agency, National Center for Computational Toxicology, Research Triangle Park, NC 27711, USA.
⁴⁴ SAPEC Agro, S.A., Avenida do Rio Tejo, Herdade das Praias, 2910-440 Setúbal, Portugal.
⁴⁵ Chemical Food Safety Group, Nestlé Research Center, Lausanne, Switzerland.
⁴⁶ Merck Research Laboratories, West Point, PA 19486, USA.
⁴⁷ European Commission, Joint Research Centre, Directorate for Health, Consumers and Reference Materials, Chemical Safety and Alternative Methods Unit, Via Enrico Fermi 2749, 21027 Ispra, VA, Italy.
⁴⁸ European Food Safety Authority, Via Carlo Magno 1A, 43126 Parma, Italy.
⁴⁹ RAI Services Company, 950 Reynolds Blvd., Winston-Salem, NC 27105, USA.
⁵⁰ AstraZeneca, Macclesfield, Cheshire, UK.
⁵¹ UCB Biopharma SPRL, Chemin du Foriest, B-1420 Braine-l'Alleud, Belgium.
⁵² Colgate-Palmolive Company, Piscataway, NJ 08854, USA.
⁵³ Bibra, Cantium House, Railway Approach, Wallington, Surrey, SM6 0DZ, UK.
⁵⁴ Bayer Pharma AG, Investigational Toxicology, Muellerstr. 178, D-13353 Berlin, Germany.
⁵⁵ ForthTox Limited, PO Box 13550, Linlithgow, EH49 7YU, UK.
⁵⁶ Transendix LLC, 1407 Moores Manor, Indianapolis, IN 46229, USA.

PMID: 29678766
PMCID: PMC6026539
DOI: 10.1016/j.yrtph.2018.04.014

In silico toxicology protocols

Glenn J Myatt et al. Regul Toxicol Pharmacol. 2018 Jul.

. 2018 Jul:96:1-17.

doi: 10.1016/j.yrtph.2018.04.014. Epub 2018 Apr 17.

Authors

Affiliations

¹ Leadscope, Inc., 1393 Dublin Rd, Columbus, OH 43215, USA. Electronic address: gmyatt@leadscope.com.
² Predictive Compound ADME & Safety, Drug Safety & Metabolism, AstraZeneca IMED Biotech Unit, Mölndal, Sweden.
³ Chemicals Evaluation and Research Institute, 1-4-25 Kouraku, Bunkyo-ku, Tokyo 112-0004 Japan.
⁴ Integrated Laboratory Systems, Inc., Research Triangle Park, NC, USA.
⁵ Sanofi, R&D Preclinical Safety Frankfurt, Industriepark Hoechst, D-65926 Frankfurt am Main, Germany.
⁶ Unilever, Safety and Environmental Assurance Centre, Colworth, Beds, UK.
⁷ The National Institute of Environmental Health Sciences, Division of the National Toxicology Program, Research Triangle Park, NC 27709, USA.
⁸ Toxicology Solutions Inc., San Diego, CA, USA.
⁹ DSM Nutritional Products, Kaiseraugst, Switzerland.
¹⁰ Alpha-PreTox, via G.Pascoli 1, 00184 Roma, Italy.
¹¹ Gilead Sciences, 333 Lakeside Drive, Foster City, CA, USA.
¹² Syngenta, Product Safety Department, Jealott's Hill International Research Centre, Bracknell, Berkshire, RG42 6EY, UK.
¹³ Leadscope, Inc., 1393 Dublin Rd, Columbus, OH 43215, USA.
¹⁴ Roche Pharmaceutical Research & Early Development, Pharmaceutical Sciences, Roche Innovation Center Basel, Switzerland.
¹⁵ National Centre for the Replacement, Refinement and Reduction of Animals in Research (NC3Rs), Gibbs Building, 215 Euston Road, London NW1 2BE, UK.
¹⁶ Janssen Research & Development, 1400 McKean Road, Spring House, PA 19477, USA.
¹⁷ School of Pharmacy and Chemistry, Liverpool John Moores University, Liverpool, L3 3AF, UK.
¹⁸ Bristol-Myers Squibb, Drug Safety Evaluation, 1 Squibb Dr, New Brunswick, NJ 08903, USA.
¹⁹ Elanco Animal Health, Schwarzwaldallee 215, 4058 Basel, Switzerland.
²⁰ Pfizer Global Research & Development, 558 Eastern Point Road, Groton, CT 06340, USA.
²¹ Global Blood Therapeutics, South San Francisco, CA 94080, USA.
²² Department of Pharmacology and Toxicology, Ernest Mario School of Pharmacy, Rutgers, The State University of New Jersey, 170 Frelinghuysen Rd, Piscataway, NJ 08855, USA.
²³ Gad Consulting Services, 4008 Barrett Drive, Suite 201, Raleigh, NC 27609, USA.
²⁴ Biologie Servier, 905 Route de Saran, 45520 Gidy, France.
²⁵ Defense Threat Reduction Agency, Edgewood Chemical Biological Center, Aberdeen Proving Ground, MD 21010, USA.
²⁶ Novartis Pharma AG, Pre-Clinical Safety, Werk Klybeck, CH-4057, Basel, Switzerland.
²⁷ Janssen Pharmaceutical Companies of Johnson & Johnson, 2340 Beerse, Belgium.
²⁸ Douglas Connect GmbH, Technology Park Basel, Hochbergerstrasse 60C, CH-4057 Basel / Basel-Stadt, Switzerland.
²⁹ GlaxoSmithKline Pre-Clinical Development, Park Road, Ware, Hertfordshire, SG12 0DP, UK.
³⁰ National Institute of Health Sciences, Tokyo, Japan.
³¹ Kelly Government Solutions, Research Triangle Park, NC 27709, USA.
³² FDA Center for Drug Evaluation and Research, Silver Spring, MD 20993, USA.
³³ Existing Substances Risk Assessment Bureau, Health Canada, Ottawa, ON, K1A 0K9, Canada.
³⁴ Toxicology Division, Eli Lilly and Company, Indianapolis, IN, USA.
³⁵ Medicines and Healthcare Products Regulatory Agency, 151 Buckingham Palace Road, London, SW1W 9SZ, UK.
³⁶ Vertex Pharmaceuticals Inc., Discovery and Investigative Toxicology, 50 Northern Ave, Boston, MA, USA.
³⁷ Institute for Sustainable and Environmental Chemistry, Leuphana University Lüneburg, Scharnhorststraße 1/C13.311b, 21335 Lüneburg, Germany.
³⁸ Shire, Industriestrasse 20, 1221, Wien, Austria.
³⁹ Chemical Security Analysis Center, Department of Homeland Security, 3401 Ricketts Point Road, Aberdeen Proving Ground, MD 21010-5405, USA; Battelle Memorial Institute, 505 King Avenue, Columbus, OH 43210, USA.
⁴⁰ Agency for Toxic Substances and Disease Registry, US Department of Health and Human Services, Atlanta, GA, USA.
⁴¹ British American Tobacco, Research and Development, Regents Park Road, Southampton, Hampshire, SO15 8TL, UK.
⁴² Translational Informatics Division, Department of Internal Medicine, Health Sciences Center, The University of New Mexico, NM, USA.
⁴³ U.S. Environmental Protection Agency, National Center for Computational Toxicology, Research Triangle Park, NC 27711, USA.
⁴⁴ SAPEC Agro, S.A., Avenida do Rio Tejo, Herdade das Praias, 2910-440 Setúbal, Portugal.
⁴⁵ Chemical Food Safety Group, Nestlé Research Center, Lausanne, Switzerland.
⁴⁶ Merck Research Laboratories, West Point, PA 19486, USA.
⁴⁷ European Commission, Joint Research Centre, Directorate for Health, Consumers and Reference Materials, Chemical Safety and Alternative Methods Unit, Via Enrico Fermi 2749, 21027 Ispra, VA, Italy.
⁴⁸ European Food Safety Authority, Via Carlo Magno 1A, 43126 Parma, Italy.
⁴⁹ RAI Services Company, 950 Reynolds Blvd., Winston-Salem, NC 27105, USA.
⁵⁰ AstraZeneca, Macclesfield, Cheshire, UK.
⁵¹ UCB Biopharma SPRL, Chemin du Foriest, B-1420 Braine-l'Alleud, Belgium.
⁵² Colgate-Palmolive Company, Piscataway, NJ 08854, USA.
⁵³ Bibra, Cantium House, Railway Approach, Wallington, Surrey, SM6 0DZ, UK.
⁵⁴ Bayer Pharma AG, Investigational Toxicology, Muellerstr. 178, D-13353 Berlin, Germany.
⁵⁵ ForthTox Limited, PO Box 13550, Linlithgow, EH49 7YU, UK.
⁵⁶ Transendix LLC, 1407 Moores Manor, Indianapolis, IN 46229, USA.

PMID: 29678766
PMCID: PMC6026539
DOI: 10.1016/j.yrtph.2018.04.014

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.

Keywords: Computational toxicology; Expert alert; Expert review; In silico; In silico toxicology; Predictive toxicology; QSAR.

PubMed Disclaimer

Figures

**Figure 1**
Overview of the IST protocol framework, showing how experimental data or *in silico* model(s) for each defined toxicological effect/mechanism are assessed and used to support a hazard assessment. (Note Effect/Mechanism N is used to illustrate that there can be any number of effects/mechanisms in each protocol) * From the literature, database or study report

**Figure 2**
Reliability of toxicity assessments based on computational models and experimental data a. Read-across performed according to the RAAF or similar b. Expert review resulting in increased confidence c. 2+ concurring results from different methodologies or QSAR descriptor sets or training sets d. Based on the selection criteria provided in Section 2.3.2

**Figure 3**
Determining the bacterial gene mutation assessment and reliability score for two concurring *in silico* results with expert review

**Figure 4**
Determining the bacterial gene mutation assessment and reliability score for two concurring *in silico* results with no expert review

**Figure 5**
Determining the bacterial gene mutation assessment and reliability score where there is no experimental data available and conflicting *in silico* results

**Figure 6**
Hazard assessment framework * From the literature, database or study report ** Function of the associated reliability, relevance and completeness

**Figure 7**
Summary of the IST protocol process * Based on rules/principles outlined in the IST protocols, including an expert review if warranted

See this image and copyright information in PMC

Cited by

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. 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.
Challenging the pipeline.
Loskill P, Hardwick RN, Roth A. Loskill P, et al. Stem Cell Reports. 2021 Sep 14;16(9):2033-2037. doi: 10.1016/j.stemcr.2021.08.004. Stem Cell Reports. 2021. PMID: 34525380 Free PMC article.
A cross-industry collaboration to assess if acute oral toxicity (Q)SAR models are fit-for-purpose for GHS classification and labelling.
Bercu J, Masuda-Herrera MJ, Trejo-Martin A, Hasselgren C, Lord J, Graham J, Schmitz M, Milchak L, Owens C, Lal SH, Robinson RM, Whalley S, Bellion P, Vuorinen A, Gromek K, Hawkins WA, van de Gevel I, Vriens K, Kemper R, Naven R, Ferrer P, Myatt GJ. Bercu J, et al. Regul Toxicol Pharmacol. 2021 Mar;120:104843. doi: 10.1016/j.yrtph.2020.104843. Epub 2020 Dec 17. Regul Toxicol Pharmacol. 2021. PMID: 33340644 Free PMC article.
Exploring current read-across applications and needs among selected U.S. Federal Agencies.
Patlewicz G, Lizarraga LE, Rua D, Allen DG, Daniel AB, Fitzpatrick SC, Garcia-Reyero N, Gordon J, Hakkinen P, Howard AS, Karmaus A, Matheson J, Mumtaz M, Richarz AN, Ruiz P, Scarano L, Yamada T, Kleinstreuer N. Patlewicz G, et al. Regul Toxicol Pharmacol. 2019 Aug;106:197-209. doi: 10.1016/j.yrtph.2019.05.011. Epub 2019 May 10. Regul Toxicol Pharmacol. 2019. PMID: 31078681 Free PMC article.
Relevance of kinetic interactions and co-formulants for plant protection product liver toxicity in vitro.
Musengi Y, Suciu I, Tralau T, Bloch D. Musengi Y, et al. Arch Toxicol. 2025 Aug;99(8):3247-3268. doi: 10.1007/s00204-025-04071-7. Epub 2025 Apr 28. Arch Toxicol. 2025. PMID: 40295322 Free PMC article.

See all "Cited by" articles

References

1. Alves V, Muratov E, Capuzzi S, Politi R, Low Y, Braga R, Zakharov AV, Sedykh A, Mokshyna E, Farag S, Andrade C, Kuz’min D, Fourches D, Tropsha A. Alarms about structural alerts. Green Chem. 2016;18(16):4348–4360. doi: 10.1039/C6GC01492E. - DOI - PMC - PubMed
1. Amaral RTD, Ansell J, Aptula N, Ashikaga T, Chaudhry Q, Hirose A, Jaworska J, Kojima H, Lafranconi M, Matthews E, Milstein S, Roesler C, Vaillancourt E, Verma R, Worth A, Yourick J. Report for the International Cooperation on Cosmetics Regulation. Silico Approaches for Safety Assessment of Cosmetic Ingredients. 2014 https://www.pharmamedtechbi.com/~/media/Supporting%20Documents/The%20Ros....
1. Amaral R, Amores Da Silva P, Ansell J, Boisleve F, Dent M, Hatao M, Hirose A, Kasai Y, Kojima H, Kern P, Kreiling R, Milstein S, Oliveira J, Richarz A, Taalman R, Vaillancourt E, Verma R, Vieira NC, Weiss C. Report for the International Cooperation on Cosmetics Regulation, Joint Regulators-Industry Working Group: Integrated Strategies for Safety Assessments of Cosmetic Ingredients - Part I. 2017 http://www.iccr-cosmetics.org/files/4715/0824/0761/ICCR-11_JWG_Integrate....
1. Amberg A, Harvey JS, Czich A, Spirkl H-P, Robinson S, White A, Elder DP. Do Carboxylic/Sulfonic acid halides really present a mutagenic and carcinogenic risk as impurities in final drug products? Org Process Res Dev. 2015;19:1495–506. doi: 10.1021/acs.oprd.5b00106. - DOI
1. Amberg A, Beilke L, Bercu J, Bower D, Brigo A, Cross KP, Custer L, Dobo K, Dowdy E, Ford KA, Glowienke S, Gompel JV, Harvey J, Hasselgren C, Honma M, Jolly R, Kemper R, Kenyon M, Kruhlak N, Leavitt P, Miller S, Muster W, Nicolette J, Plaper A, Powley M, Quigley DP, Reddy MV, Spirkl HP, Stavitskaya L, Teasdale A, Weiner S, Welch DS, White A, Wichard J, Myatt GJ. Principles and procedures for implementation of ICH M7 recommended (Q)SAR analyses. Regulatory Toxicology and Pharmacology. 2016;77:13–24. doi: 10.1016//j.yrtph.2016.02.004. - DOI - PubMed

MeSH terms

Actions
Actions
Actions
Actions
Actions

Grants and funding

LinkOut - more resources

Full Text Sources
Other Literature Sources
- scite Smart Citations

Save citation to file

Email citation

Add to Collections

Add to My Bibliography

Your saved search

Create a file for external citation management software

Your RSS Feed

In silico toxicology protocols

Affiliations

In silico toxicology protocols

Authors

Affiliations

Abstract

Figures

Similar articles

Cited by

References

MeSH terms

Grants and funding

LinkOut - more resources

Full Text Sources

Other Literature Sources

Abstract

Figures

Similar articles

Cited by

References

MeSH terms

Related information

Grants and funding

LinkOut - more resources

Full Text Sources

Other Literature Sources