AdventML: Advanced Enzyme Temperature Prediction with Transformer-Based Embeddings and Resampling Strategies (opens in new tab)

Accurate prediction of enzymes' optimal catalytic temperature (Topt) is crucial in biotechnology, as enzymes with extreme Topt values are highly desirable for reactions at extreme temperatures and for their general stability. However, experimental determination of Topt is costly, labor-intensive, and time-consuming. Meanwhile, existing computational methods suffer from small and imbalanced datasets, suboptimal predictions at extreme temperatures, and insufficient validation. In this study, we...