19 OpenTox Principles and Best Practices for Trusted Reproducible …
401
entific conference. Finally, we will distill the learnings from the above activities into
updated principles, best practice guidance, and improved implementations shared
with the community.
Disclaimer The views presented in this article do not necessarily reflect current or future opinion
or policy of the US Food and Drug Administration or National Institutes of Health. Any mention
of commercial products is for clarification and not intended as endorsement.
References
1. Todeschini R, Consonni V, Mannhold R et al (2009) Molecular descriptors for chemoinformatics, vol 41 (2 volume set), 2nd, revised and enlarged edition. Retrieved from http://eu.wiley.
com/WileyCDA/WileyTitle/productCd-3527318526.html. Accessed on 31 Mar 2017
2. Sushko I, Novotarskyi S, Körner R, Pandey AK, Rupp M, Teetz W et al (2011) Online chemical
modeling environment (OCHEM): web platform for data storage, model development and
publishing of chemical information. J Comput Aided Mol Des 25:533–554
3. Walker T, Grulke CM, Pozefsky D, Tropsha A (2010) Chembench: a cheminformatics workbench. Bioinformatics 26:3000–3001. Oxford University Press
4. Cefic LRI - Toolbox: AMBIT. Retrieved from http://cefic-lri.org/lri_toolbox/ambit/. Accessed
on 31 Mar 2017
5. Jaworska J, Hoffmann S. Integrated testing strategy (ITS)—opportunities to better use existing
data and guide future testing in toxicology. Available: http://www.altex.ch/resources/ALTEX_
4_10_Jaworska_Hoffmann.pdf. Accessed on 30 Mar 2017
6. Hartung T, Luechtefeld T, Maertens A, Kleensang A (2013) Food for thought … integrated
testing strategies for safety assessments. ALTEX. NIH Public Access 30:3
7. Bauch C, Kolle SN, Ramirez T, Eltze T, Fabian E, Mehling A et al (2012) Putting the parts
together: combining in vitro methods to test for skin sensitizing potentials. Regul Toxicol
Pharmacol 63:489–504
8. Strickland J, Zang Q, Kleinstreuer N, Paris M, Lehmann DM, Choksi N et al (2016) Integrated
decision strategies for skin sensitization hazard. J Appl Toxicol 36:1150–1162
9. Jaworska JS, Natsch A, Ryan C, Strickland J, Ashikaga T, Miyazawa M (2015) Bayesian
integrated testing strategy (ITS) for skin sensitization potency assessment: a decision support system for quantitative weight of evidence and adaptive testing strategy. Arch Toxicol
89:2355–2383
10. SaferSkin. Retrieved from https://its.douglasconnect.com/. Accessed on 31 Mar 2017
11. Guidance on good data and record management practices. WHO technical report series,
No. 996, 2016, Annex 5. Retrieved from http://apps.who.int/medicinedocs/en/m/abstract/
Js22402en/. Accessed on 31 Mar 2017
12. Git - Wikipedia. Retrieved from https://en.wikipedia.org/wiki/Git. Accessed on 31 Mar 2017
13. Merkle tree - Wikipedia. Retrieved from https://en.wikipedia.org/wiki/Merkle_tree. Accessed
on 31 Mar 2017
14. NixOS Linux. Retrieved from https://nixos.org/. Accessed on 31 Mar 2017
15. Hartung T et al A modular approach to the ECVAM principles on test validity. PubMed—NCBI.
Retrieved from https://www.ncbi.nlm.nih.gov/pubmed/15656771. Accessed on 31 Mar 2017
16. EC JRC Report (2014) Retrieved from http://publications.jrc.ec.europa.eu/repository/
bitstream/JRC91361/echa_jrc_sla_report_public_05-09-14_withcover%20ipo.pdf. Accessed
on 30 Mar 2017
17. Eskes C, Whelan M (eds) (2016) Validation of alternative methods for toxicity testing. Springer,
Cham
401
entific conference. Finally, we will distill the learnings from the above activities into
updated principles, best practice guidance, and improved implementations shared
with the community.
Disclaimer The views presented in this article do not necessarily reflect current or future opinion
or policy of the US Food and Drug Administration or National Institutes of Health. Any mention
of commercial products is for clarification and not intended as endorsement.
References
1. Todeschini R, Consonni V, Mannhold R et al (2009) Molecular descriptors for chemoinformatics, vol 41 (2 volume set), 2nd, revised and enlarged edition. Retrieved from http://eu.wiley.
com/WileyCDA/WileyTitle/productCd-3527318526.html. Accessed on 31 Mar 2017
2. Sushko I, Novotarskyi S, Körner R, Pandey AK, Rupp M, Teetz W et al (2011) Online chemical
modeling environment (OCHEM): web platform for data storage, model development and
publishing of chemical information. J Comput Aided Mol Des 25:533–554
3. Walker T, Grulke CM, Pozefsky D, Tropsha A (2010) Chembench: a cheminformatics workbench. Bioinformatics 26:3000–3001. Oxford University Press
4. Cefic LRI - Toolbox: AMBIT. Retrieved from http://cefic-lri.org/lri_toolbox/ambit/. Accessed
on 31 Mar 2017
5. Jaworska J, Hoffmann S. Integrated testing strategy (ITS)—opportunities to better use existing
data and guide future testing in toxicology. Available: http://www.altex.ch/resources/ALTEX_
4_10_Jaworska_Hoffmann.pdf. Accessed on 30 Mar 2017
6. Hartung T, Luechtefeld T, Maertens A, Kleensang A (2013) Food for thought … integrated
testing strategies for safety assessments. ALTEX. NIH Public Access 30:3
7. Bauch C, Kolle SN, Ramirez T, Eltze T, Fabian E, Mehling A et al (2012) Putting the parts
together: combining in vitro methods to test for skin sensitizing potentials. Regul Toxicol
Pharmacol 63:489–504
8. Strickland J, Zang Q, Kleinstreuer N, Paris M, Lehmann DM, Choksi N et al (2016) Integrated
decision strategies for skin sensitization hazard. J Appl Toxicol 36:1150–1162
9. Jaworska JS, Natsch A, Ryan C, Strickland J, Ashikaga T, Miyazawa M (2015) Bayesian
integrated testing strategy (ITS) for skin sensitization potency assessment: a decision support system for quantitative weight of evidence and adaptive testing strategy. Arch Toxicol
89:2355–2383
10. SaferSkin. Retrieved from https://its.douglasconnect.com/. Accessed on 31 Mar 2017
11. Guidance on good data and record management practices. WHO technical report series,
No. 996, 2016, Annex 5. Retrieved from http://apps.who.int/medicinedocs/en/m/abstract/
Js22402en/. Accessed on 31 Mar 2017
12. Git - Wikipedia. Retrieved from https://en.wikipedia.org/wiki/Git. Accessed on 31 Mar 2017
13. Merkle tree - Wikipedia. Retrieved from https://en.wikipedia.org/wiki/Merkle_tree. Accessed
on 31 Mar 2017
14. NixOS Linux. Retrieved from https://nixos.org/. Accessed on 31 Mar 2017
15. Hartung T et al A modular approach to the ECVAM principles on test validity. PubMed—NCBI.
Retrieved from https://www.ncbi.nlm.nih.gov/pubmed/15656771. Accessed on 31 Mar 2017
16. EC JRC Report (2014) Retrieved from http://publications.jrc.ec.europa.eu/repository/
bitstream/JRC91361/echa_jrc_sla_report_public_05-09-14_withcover%20ipo.pdf. Accessed
on 30 Mar 2017
17. Eskes C, Whelan M (eds) (2016) Validation of alternative methods for toxicity testing. Springer,
Cham