mixtox-package: Predictive Toxicity Assessment of Chemical Mixtures
Description
Toxicity prediction of chemical mixtures using reference models such as
'concentration addition' and 'independent action'. It is also of more general
use in chemical mixture design for experiments. It includes tools like curve fitting,
experimental design, uncertainty characterization, and mixture toxicity prediction.Details
ll{
Package: mixtox
Type: Package
Version: 1.0
Date: 2015-06-01
License: GPL-2
}
(1) Curve fitting of concentration-response data using six sigmoidal equations,
goodness of fit statistics, and function-based and
observation-based confidence intervals calculation.
(2) Experimental design for mixture toxicity. experimental design of the mixture.
acr: arbitrary concentration ratio; eecr: equal effect concentration ratio;
udcr: uniform design concentration ratio.
(3) Mixture toxicity prediction using reference models such as concentration addition (CA),
independent action (IA), and generalized concentration addition (GCA).References
Dunnett, C. W. 1964. New Tables for Multiple Comparisons with a Control. Biometrics
30(3):482-491.
Hickernell, Fred J. 1996. A Generalized Discrepancy and Quadrature Error Bound. Mathematics of
Computation 67(211):299-322.
Howard, Gregory J., Jennifer J. Schlezinger, Mark E. Hahn, and Thomas F. Webster. 2010.
Generalized Concentration Addition Predicts Joint Effects of Aryl Hydrocarbon
Receptor Agonists with Partial Agonists and Competitive Antagonists.
Environmental Health Perspectives 118(5):666-672.
Scholze, M. et al. 2001. A General Best-Fit Method for Concentration-Response Curves and the
Estimation of Low-Effect Concentrations. Environmental Toxicology and Chemistry
20(2):448-457.
Wang, Yuan and Kai-Tai Fang. 1996. Uniform Design of Experiments with Mixtures. Science in China
Series A-Mathematics Physics Astronomy 39(3):264-275.
Backhaus, T., Faust, M., 2012. Predictive environmental risk assessment of chemical mixtures: A
conceptual framework. Environmental Science and Technology. 46, 2564-2573.