Rough sets and social ski-driver optimization for drug toxicity analysis

Abstract

Background and objectives: Toxicity testing is an important step for developing new drugs, and animals are widely used in this step by exposing them to the toxicants. Zebrafishes are widely used for measuring and detecting the toxicity. However, measuring and testing toxicity manually is not feasible due to the large number of embryos. This work presents an automated model to investigate the toxicity of two toxicants (3, 4-Dichloroaniline (34DCA) and p-Tert-Butylphenol (PTBP)).

Methods: The proposed model consists of two steps. In the first step, a set of features is extracted from microscopic images of zebrafish embryos using the Segmentation-Based Fractal Texture Analysis (SFTA) technique. Secondly, a novel rough set-based model using Social ski-driver (SSD) is used to find a global minimal subset of features that preserves important information of the original features. In the third step, the AdaBoost classifier is used to classify an unknown sample to alive or coagulant after exposing the embryo to a toxic compound.

Results: For detecting the toxicity, the proposed model is compared with (i) three deterministic rough set reduction algorithms and (ii) the PSO-based algorithm. The classification performance rate of our model was ranged from 97.1% to 99.5% and it outperformed the other algorithms.

Conclusions: The results of our experiments proved that the proposed drug toxicity model is efficient for rough set-based feature selection and it obtains a high classification performance.

Keywords: Machine learning; Optimization; Rough set; Social ski-driver; Toxicity.