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Polycyclic aromatic hydrocarbons (PAHs) are organic pollutants and manufactured substances conferring toxicity to human health. The present study investigated whether pyrene, a type of PAH, harms rats. Our research provides an effective feature selection strategy for the animal dataset from Wenzhou Medical University's Experimental Animal Center to thoroughly examine the impacts of PAH toxicity on rat features. Initially, we devised a high‐performance optimization method (SCBA) and added the Sobol sequence, vertical crossover and horizontal crossover mechanisms to the bat algorithm (BA). The SCBA‐KELM model, which combines SCBA with the kernel extreme learning machine model (KELM), has excellent accuracy and high stability for selecting features. Benchmark function tests are then used in this research to verify the overall optimization performance of SCBA. In this paper, the feature selection performance of SCBA‐KELM is verified using various comparative experiments. According to the results, the features of the genes PXR, CAR, CYP2B1/2 and CYP1A1/2 have the most impact on rats. The SCBA‐KELM model's classification performance for the gene dataset was 100%, and the model's precision value for the public dataset was around 96%, as determined by the classification index. In conclusion, the model utilized in this research is anticipated to be a reliable and valuable approach for toxicological classification and assessment. [ABSTRACT FROM AUTHOR]