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Customization
Integration of ToxGPS, ChemTunes and Corina technology into your chemoinformatics environment
Customization
Integration of ToxGPS, ChemTunes and Corina technology into your chemoinformatics environment
Customization
Integration of ToxGPS, ChemTunes and Corina technology into your chemoinformatics environment
training, consultancy and software for computational toxicology
This is the collection of sources on which our training courses on in silico toxicology are built and constantly updated. This list is not intended to be a complete list of publications on computational toxicology, but rather a selection of what we found relevant for our work. The list will be periodically updated, therefore, come back to check the news.
Paper collection
2022
Paper collection
QSAR, read-across, cosmetics
A Review of In Silico Toxicology Approaches to Support the Safety Assessment of Cosmetics-Related Materials.
Cronin, M. T. D.; Enoch, S. J.; Madden, J. C.; Rathman, J. F.; Richarz, A.-N.; Yang, C. Computational Toxicology 2022, 100213.
2022
Paper collection
NAMs, REACH
A framework for chemical safety assessment incorporating new approach methodologies within REACH
Ball, N., Bars, R., Botham, P.A. et al. Arch Toxicol 96, 743–766 (2022).
2022
Paper collection
Cosmetics, NAMs, read-across, Next generation risk assessment (NGRA)
A 10-Step Framework for Use of Read-across (RAX) in next Generation Risk Assessment (NGRA) for Cosmetics Safety Assessment
Alexander-White, C.; Bury, D.; Cronin, M.; Dent, M.; Hack, E.; Hewitt, N. J.; Kenna, G.; Naciff, J.; Ouedraogo, G.; Schepky, A.; Mahony, C.; Europe, C. Regulatory Toxicology and Pharmacology 2022, 129, 105094.
2021
Paper collection
QSAR, acute toxicity
CATMoS: Collaborative Acute Toxicity Modeling Suite.
Mansouri, K. Environmental Health Perspectives 2021, 18.
2020
Paper collection
read-across, grouping
Navigating the Minefield of Computational Toxicology and Informatics: Looking Back and Charting a New Horizon
Patlewicz, G. . Front. Toxicol. 2020, 2, 2.
2020
Paper collection
QSAR, read-across, in silico toxicology
A Review of In Silico Tools as Alternatives to Animal Testing: Principles, Resources and Applications
Madden, J. C.; Enoch, S. J.; Paini, A.; Cronin, M. T. D. Altern Lab Anim 2020, 026119292096597.
2020
Paper collection
QSAR, read-across, skin sensitization
Skin Sensitization in Silico Protocols
Johnson, C. et all Regulatory Toxicology and Pharmacology 2020, 116, 104688.
2019
Paper collection
read-across, OECD QSAR ToolBox
Automated and Standardized Workflows in the OECD QSAR Toolbox.
Yordanova, D.; Schultz, T. W.; Kuseva, C.; Tankova, K.; Ivanova, H.; Dermen, I.; Pavlov, T.; Temelkov, S.; Chapkanov, A.; Georgiev, M.; Gissi, A.; Sobanski, T.; Mekenyan, O. G. Computational Toxicology 2019, 10, 89–104.
2019
Paper collection
QSAR, read-across, databases
In Silico Toxicology Data Resources to Support Read-Across and (Q)SAR.
Pawar, G.; Madden, J. C.; Ebbrell, D.; Firman, J. W.; Cronin, M. T. D. Front. Pharmacol. 2019, 10, 561.
2019
Paper collection
QSAR, uncertainty
Identification and Description of the Uncertainty, Variability, Bias and Influence in Quantitative Structure-Activity Relationships (QSARs) for Toxicity Prediction.
Cronin, M. T. D.; Richarz, A.-N.; Schultz, T. W. Regulatory Toxicology and Pharmacology 2019, 106, 90–104.
2019
Paper collection
read-across, uncertainty
Assessing Uncertainty in Read-across: Questions to Evaluate Toxicity Predictions Based on Knowledge Gained from Case Studies
Schultz, T. W.; Richarz, A.-N.; Cronin, M. T. D. Computational Toxicology 2019, 9, 1–11.
2019
Paper collection
read-across, similarity
Molecular Fingerprint-Derived Similarity Measures for Toxicological Read-across: Recommendations for Optimal Use.
Mellor, C. L.; Marchese Robinson, R. L.; Benigni, R.; Ebbrell, D.; Enoch, S. J.; Firman, J. W.; Madden, J. C.; Pawar, G.; Yang, C.; Cronin, M. T. D. Regulatory Toxicology and Pharmacology 2019, 101, 121–134.