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Bioengineering

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JoVE Journal Bioengineering
In Silico Modeling Method for Computational Aquatic Toxicology of Endocrine Disruptors
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In Silico Modeling Method for Computational Aquatic Toxicology of Endocrine Disruptors: A Software-Based Approach Using QSAR Toolbox

Article DOI: 10.3791/60054-v • 05:47 min • August 28th, 2019
August 28th, 2019 •
1, 1, 1, 1
1KIST Europe Forschungsgesellschaft mbH

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Summary
Automatic Translation

Quantitative structure-activity relationship (QSAR) modeling is a representative bioinformatics-assisted method in toxicological screening. This protocol demonstrates how to computationally assess the risks of endocrine disruptors (EDs) in aquatic environments. Utilizing the OECD QSAR Toolbox, the protocol implements an in silico assay for analyzing toxicity of EDs in fish.

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Software-based Approach In Silico Modeling Method Computational Aquatic Toxicology Endocrine Disruptors QSAR Toolbox Short-term Adverse Effects Chemical Substances Toxicity Prediction Acute Ecotoxicity User-friendly Input Toolbox Chemical Abstract Service Number Structure Button Simplified Molecular Input Line Entry System Code In-silico Assay Substance List Data Ecotoxicological Information
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