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

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

Research output: Contribution to journalArticle

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 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.

Original languageEnglish
Pages (from-to)995-1001
Number of pages7
JournalChemosphere
Volume144
DOIs
Publication statusPublished - Feb 1 2016

Keywords

  • Cell viability
  • CORAL software
  • NanoQSAR
  • Quasi-SMILES
  • Silica nanoparticle

ASJC Scopus subject areas

  • Environmental Chemistry
  • Chemistry(all)

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