Brock University Researchers Illuminate Research in Drug Development (Integrating transformers and many-objective optimization for drug design).

Researchers at Brock University have conducted a study on drug development, specifically focusing on the design of effective molecules that can bind to specific protein targets. The study explores the use of artificial intelligence algorithms, particularly many-objective metaheuristics, in combination with a latent Transformer-based model for molecular generation. The researchers compared the performance of different models and metaheuristics and found that a multi-objective evolutionary algorithm based on dominance and decomposition was the most effective in finding molecules that satisfied multiple objectives, such as high binding affinity and low toxicity. This study demonstrates the potential of integrating Transformers and many-objective computational intelligence for drug design. [Extracted from the article]