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

Kovalishyn, V.; Abramenko, N.; Kopernyk, I.; Charochkina, L.; Metelytsia, L.; Tetko, I.V.; ... ; Kustov, L. (2018)

Article / Letter to editor

 = 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.

• All authors: Kovalishyn, V.; Abramenko, N.; Kopernyk, I.; Charochkina, L.; Metelytsia, L.; Tetko, I.V.; Peijnenburg, W.J.G.M.; Kustov, L.
• Date: 2018-02-28
• Journal: Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
• Volume: 112
• Pages: 507 - 517
• DOI: doi:10.1016/j.fct.2017.08.008