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.

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