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

doi:10.1016/j.chemosphere.2015.09.086

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

Istituto di Ricerche Farmacologiche "Mario Negri"

Research output: Contribution to journal › Article › peer-review

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 language	English
Pages (from-to)	995-1001
Number of pages	7
Journal	Chemosphere
Volume	144
DOIs	https://doi.org/10.1016/j.chemosphere.2015.09.086
Publication status	Published - Feb 1 2016

Keywords

Cell viability
CORAL software
NanoQSAR
Quasi-SMILES
Silica nanoparticle

ASJC Scopus subject areas

Environmental Chemistry
Chemistry(all)

Access to Document

10.1016/j.chemosphere.2015.09.086

Cite this

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title = "QSAR model for predicting cell viability of human embryonic kidney cells exposed to SiO2 nanoparticles",

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.",

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AU - Toropova, Alla P.

AU - Benfenati, Emilio

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