Using Delaunay triangulation and Voronoi tessellation to predict the toxicities of binary mixtures containing hormetic compound.

ABSTRACT: Concentration addition (CA) was proposed as a reasonable default approach for the ecological risk assessment of chemical mixtures. However, CA cannot predict the toxicity of mixture at some effect zones if not all components have definite effective concentrations at the given effect, such as some compounds induce hormesis. In this paper, we developed a new method for the toxicity prediction of various types of binary mixtures, an interpolation method based on the Delaunay triangulation (DT) and Voronoi tessellation (VT) as well as the training set of direct equipartition ray design (EquRay) mixtures, simply IDV_equ. At first, the EquRay was employed to design the basic concentration compositions of five binary mixture rays. The toxic effects of single components and mixture rays

SUBMITTER: Qu R 

PROVIDER: S-EPMC5347389 | biostudies-literature | 2017 Mar

REPOSITORIES: biostudies-literature