QSAR model for predicting cell viability of human embryonic kidney cells exposed to SiO2 nanoparticles. (February 2016)

• Record Type: Journal Article
• Authors: Manganelli, Serena; Leone, Caterina; Toropov, Andrey A.; Toropova, Alla P.; Benfenati, Emilio
• Is Part Of: Chemosphere. Volume 144(2016)
• Page Start: 995
• Page End: 1001
• Publication Date: 2016-02
• Subjects: Quasi-SMILES -- NanoQSAR -- CORAL software -- Silica nanoparticle -- Cell viability; Pollution -- Periodicals; Pollution -- Physiological effect -- Periodicals; Environmental sciences -- Periodicals; Atmospheric chemistry -- Periodicals; 551.511
• DOI: 10.1016/j.chemosphere.2015.09.086
• Languages: English
• ISSNs: 0045-6535

Abstract

Abstract: A predictive model for the viability (%) of cultured human embryonic kidney cells (HEK293) exposed to 20 and 50 nm silica nanoparticles was built using 'optimal descriptors' as mathematical functions of size, concentration and exposure time. The calculation was carried out with CORAL software (http://www.insilico.eu/coral/ ) on five random splits of combined systems (particle size-particle concentration-cell exposure time) into training, calibration, and validation sets. The R 2 values of the best models were above 0.68. The average statistical quality of the model for the viability (%) of HEK293 exposed to different concentrations of silica nanoparticles measured by MTT assay is satisfactory. Highlights: A predictive model for viability (%) of cultured human embryonic kidney cells exposed to silica nanoparticles was built. Cell viability was described as function of quasi-SMILES. Quasi-SMILES were obtained from the combination of size, concentration and exposure time. The average statistical quality of nanoQSAR is good.