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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 and consultancy 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
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.
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, 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, 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.