Journal
CHEMOSPHERE
Volume 104, Issue -, Pages 262-264Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.chemosphere.2013.10.079
Keywords
Fullerene C60; Bacterial reverse mutation test; Quasi-QSAR; Optimal descriptor
Categories
Funding
- EC project NANOPUZZLES [309837]
- EC project PreNanoTox [309666]
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The experimental data on the bacterial reverse mutation test on C60 nanoparticles (TA100) is examined as an endpoint. By means of the optimal descriptors calculated with the Monte Carlo method a mathematical model of the endpoint has been built up. The model is the mathematical function of (i) dose (g/plate); (ii) metabolic activation (i.e. with S9 mix or without S9 mix); and (iii) illumination (i.e. dark or irradiation). The statistical quality of the model is the following: n = 10, r(2) = 0.7549, q(2) = 0.5709, s = 7.67, F= 25 (Training set); n = 5, r(2) = 0.8987, s = 18.4 (Calibration set); and n = 5, r(2) = 0.6968, s = 10.9 (Validation set). (C) 2013 Elsevier Ltd. All rights reserved.
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