QSAR Model for Cytotoxicity of Silica Nanoparticles on Human Embryonic Kidney Cells

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

Research output: Chapter in Book/Report/Conference proceedingConference contribution

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.

Original languageEnglish
Title of host publicationMaterials Today: Proceedings
PublisherElsevier Ltd
Pages847-854
Number of pages8
Volume3
Edition3
DOIs
Publication statusPublished - 2016

Keywords

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

ASJC Scopus subject areas

  • Materials Science(all)

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