Details

Autor(en) / Beteiligte

• Manganelli, Serena
• Leone, Caterina
• Toropov, Andrey A.
• Toropova, Alla P.
• Benfenati, Emilio

Titel

QSAR model for predicting cell viability of human embryonic kidney cells exposed to SiO2 nanoparticles

Ist Teil von

• Chemosphere (Oxford), 2016-02, Vol.144, p.995-1001

Ort / Verlag

England: Elsevier Ltd

Erscheinungsjahr

2016

Quelle

MEDLINE

Beschreibungen/Notizen

• 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 R2 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. •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.