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Using the Isalos platform to develop a (Q)SAR model that predicts metal oxide toxicity utilizing facet-based electronic,image analysis-based,and periodic table derived properties as descriptors |
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| Authors: | Thwala M. M. Afantitis A. Papadiamantis A. G. Tsoumanis A. Melagraki G. Dlamini L. N. Ouma C. N. M. Ramasami P. Harris R. Puzyn T. Sanabria N. Lynch I. Gulumian M. |
| Affiliation: | 1.Department of Chemical Sciences, University of Johannesburg, Doornfontein, Johannesburg, 2028, South Africa ;2.Department of Toxicology and Biochemistry, National Institute for Occupational Health, Constitutional Hill, Hospital Street, Johannesburg, 2000, South Africa ;3.NovaMechanics Ltd, Cheminformatics & Nanoinformatics Excellence, P.O Box 26014, Nicosia, 1666, Cyprus ;4.School of Geography, Earth & Environmental Sciences, University of Birmingham, Birmingham, B15 2TT, UK ;5.Division of Physical Sciences and Applications, Hellenic Military Academy, Vari, Greece ;6.Faculty of Engineering, HySA Infrastructure Center of Competence, North West University, P. Bag X6001, Potchefstroom, 2520, South Africa ;7.Computational Chemistry Group, Department of Chemistry, Faculty of Science, University of Mauritius, Reduit, 80837, Mauritius ;8.Natural and Agricultural Sciences, University of Free State, PO Box 339, Bloemfontein, 9300, South Africa ;9.QSAR Laboratory Limited, Aleja Grunwaldzka 190/102, Gdansk, 80-266, Poland ;10.Laboratory of Environmental Chemometrics, Faculty of Chemistry, University of Gdansk, Wita Stwosza 63, Gdansk, 80-308, Poland ;11.Molecular Medicine and Haematology, University of the Witwatersrand, Johannesburg, South Africa ;12.Water Research Group, Unit for Environmental Sciences and Management, North West University, Private Bag X6001, Potchefstroom, 2520, South Africa ; |
| Abstract: | Structural Chemistry - Engineered nanoparticles (NPs) are being studied for their potential to harm humans and the environment. Biological activity, toxicity, physicochemical properties, fate, and... |
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