ECHA "Guidance on the establishment of the residue definition for dietary risk assessment" provides directions for determining the metabolites that require hazard identification and characterisation using scientific tools and methods such as (Q)SAR, read-across, threshold of toxicological concern (TTC) and available data in combination, and for developing an appropriate testing strategy for these compounds. 


We offer a unique cheminformatics platform to support the safety and risk assessment of chemicals and computational chemistry and toxicology expertise to train you in the use of the software and in the applications of the in silico approaches to your project.

ChemTunes•ToxGPS® - Toxicity Database, Knowledgebase, QSAR and Read-Across

Pay-per-projecta mix between use of commercial and free software tools, consultancy and training on QSAR and read-across with the long-term aim to provide you with the knowledge to conduct your own in silico assessment.  It includes access to ChemTunes∙ToxGPS® for the duration of the project.

Training courses - With regulators encouraging the reduction of in vivo tests according to the principles of the 3Rs our courses provide an understanding of methods for in silico toxicology with an emphasis on appropriate use in regulatory toxicology. 


A scientific report on the applicability of QSAR models and read-across to pesticides and their metabolites published by EFSA 

A poster presentations at the 57th Annual Meeting and ToxExpo™, San Antonio, Texas, March 11-15, 2018:

A Case Study to Establish a Standardized Read-Across Process for Pesticide Active Substances and Their Metabolites for Assessment of Genotoxicity

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