QSAR Model for Cytotoxicity of Silica Nanoparticles on Human Embryonic Kidney Cells1. (2016)

• Record Type: Journal Article
• Authors: Manganelli, Serena; Leone, Caterina; Toropov, Andrey A.; Toropova, Alla P.; Benfenati, Emilio
• Is Part Of: Materials today. Volume 3:Number 3(2016)
• Page Start: 847
• Page End: 854
• Publication Date: 2016
• Subjects: nanoQSAR -- CORAL software -- silica nanoparticle -- cell viability -- quasi-SMILES; Materials science -- Congresses -- Periodicals; 620.1
• DOI: 10.1016/j.matpr.2016.02.018
• Languages: English
• ISSNs: 2214-7853

Abstract

Abstract: A predictive model for cytotoxicity of 20 and 50 nm silica nanoparticles has been built using so-called optimal descriptors as mathematical functions of size, concentration and exposure time. These parameters have been encoded into 31 combinations 'concentration-exposure-size'. The calculation has been carried out by means of the CORAL software (http://www.insilico.eu/coral/ ) using three random splits of the obtained systems into training and test sets. The statistical quality of the best model for cell viability (%) of cultured human embryonic kidney cells (HEK293) exposed to different concentrations of silica nanoparticles measured by MTT assay is satisfactory.