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 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.
authors.affiliation: IRCSS-Istituto di Ricerche Farmacologiche Mario Negri, Via Giuseppe La Masa, 19, 20156, Milan, Italy. Electronic address: serena.manganelli@marionegri.it.
authors.forename: Serena
authors.initials: S
authors.lastname: Manganelli
authors.affiliation: IRCSS-Istituto di Ricerche Farmacologiche Mario Negri, Via Giuseppe La Masa, 19, 20156, Milan, Italy.
authors.forename: Caterina
authors.initials: C
authors.lastname: Leone
authors.affiliation: IRCSS-Istituto di Ricerche Farmacologiche Mario Negri, Via Giuseppe La Masa, 19, 20156, Milan, Italy.
authors.forename: Andrey A
authors.initials: AA
authors.lastname: Toropov
authors.affiliation: IRCSS-Istituto di Ricerche Farmacologiche Mario Negri, Via Giuseppe La Masa, 19, 20156, Milan, Italy.
authors.forename: Alla P
authors.initials: AP
authors.lastname: Toropova
authors.affiliation: IRCSS-Istituto di Ricerche Farmacologiche Mario Negri, Via Giuseppe La Masa, 19, 20156, Milan, Italy.
authors.forename: Emilio
authors.initials: E
authors.lastname: Benfenati
mesh_terms: D002138:Calibration; D002470:Cell Survival / Q000187:drug effects; D003603:Cytotoxins / Q000737:chemistry* / Q000633:toxicity*; D057809:HEK293 Cells; D006801:Humans; D053758:Nanoparticles / Q000633:toxicity*; D021281:Quantitative Structure-Activity Relationship; D012822:Silicon Dioxide / Q000737:chemistry* / Q000633:toxicity*; D012984:Software
chemical_list: D003603:Cytotoxins; D012822:Silicon Dioxide
keywords: CORAL software; Cell viability; NanoQSAR; Quasi-SMILES; Silica nanoparticle