Integrating safety data: the expert report
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Updated: Aug 15, 2026

In Silico Modeling Method for Computational Aquatic Toxicology of Endocrine Disruptors: A Software-Based Approach Using QSAR Toolbox
Published on: August 28, 2019
1Department of Toxicology, St. Bartholomew's Hospital Medical College, London, United Kingdom.
Abstract:
Complete evaluation of the toxicity of a new chemical entity requires critical analysis of the pattern of positive and negative findings in all types of toxicity tests, pharmacokinetics and metabolism in the species examined, and correlation of the effects with information about its pharmacodynamic and pharmacological properties. The goal is to obtain sufficient understanding of the mechanisms underlying the therapeutic and toxic effects of the compound to permit a well-supported extrapolation from the test to the target species. The Expert Report system in the European Community is based on comprehensive 25-page reviews of information about a compound arranged under 3 headings: Chemistry and Pharmacy, Pharmacology and Toxicology, and Clinical Studies. Each section requires a searching review of the experimental work and the relevant literature, integration of the findings, and then careful correlation among these 3 main areas of knowledge to indicate the circumstances of safe and effective use of the drug.
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