Over the last few years more and more organ and idiosyncratic toxicities were linked to mitochondrial toxicity. Despite well-established assays, such as the seahorse and Glucose/Galactose assay, an in silico approach to mitochondrial toxicity is still feasible, particularly when it comes to the assessment of large compound libraries. Therefore, in silico approaches could be very beneficial to indicate hazards early in the drug development pipeline. By combining multiple endpoints, we derived the largest so far published dataset on mitochondrial toxicity. A thorough data analysis shows that molecules causing mitochondrial toxicity can be distinguished by physicochemical properties. Finally, the combination of machine learning and structural alerts highlights the suitability for in silico risk assessment of mitochondrial toxicity.
10 External support study published in the EU bookshop. 11 European Commission (June 2018) EU Authorisation processes of plant protection productsfrom a scientific point of view. Group of Scientific Advisors. ISBN 978-92-79-67735-9. 12 E.g. European Commission (2017). Overview report on a series of audits carried out in EU Member States in 2016 and 2017 in order to evaluate the systems in place for the authorisation of plant protection products.
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