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

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.

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).

2021

Paper collection

QSAR, acute toxicity

CATMoS: Collaborative Acute Toxicity Modeling Suite.

Mansouri, K. Environmental Health Perspectives 2021, 18.

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.

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.

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.

2019

Paper collection

QSAR, read-across, genotoxicity

Genetic Toxicology in Silico Protocol

Hasselgren, C. et all Regulatory Toxicology and Pharmacology 2019, 107, 104403.

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

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

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.

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