The application of computational technologies in veterinary biochemistry and toxicology is revolutionizing translational science and making it more compatible with the One Health approach. With the distinction between animal, human, and environmental health diminishing in importance, technologies like molecular modelling, systems toxicology, vetinformatics, and artificial intelligence (AI) help in making integrated and predictive decisions. This brief review aims to highlight advancements in computational veterinary biochemistry and toxicology with special emphasis on its importance for One Health, food safety, and antimicrobial resistance (AMR). Advances in predictive toxicology, multi-omics, and AI offer new and innovative solutions for the early detection of biochemical disorders, simulation of toxicant exposure, and prediction of AMR in different species. These advancements highlight the importance of making connections between laboratory science and policy-making for animal health with the help of a multidisciplinary computational approach for global food security and AMR in a data-driven world.