Modelling the toxicity of a large set of metal and metal oxide nanoparticles using the OCHEM platform

Modelling the toxicity of a large set of metal and metal oxide nanoparticles using the OCHEM platform

 = 0.58-0.80 for regression models and balanced accuracies of 65-88% for classification models. These results matched the predictions for the test sets used to develop the models. The proposed nano-QSPR models and uploaded data are freely available online at http://ochem.eu/article/103451 and can be...

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Veröffentlicht in:Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 2018-02, Vol.112, p.507-517
Hauptverfasser: Kovalishyn, V., Abramenko, N., Kopernyk, I., Charochkina, L., Metelytsia, L., Tetko, I.V., Peijnenburg, W.J.G.M., Kustov, L.
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Sprache:eng
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Zusammenfassung: = 0.58-0.80 for regression models and balanced accuracies of 65-88% for classification models. These results matched the predictions for the test sets used to develop the models. The proposed nano-QSPR models and uploaded data are freely available online at http://ochem.eu/article/103451 and can be used for estimation of toxicity of new and emerging nanoparticles at the early stages of nanomaterial development.
DOI:10.1016/j.fct.2017.08.008