ReactionTeam: Teaming Experts for Divergent Thinking Beyond Typical Reaction Patterns

The introduction of ReactionTeam marks a significant advancement in the field of synthetic chemistry, addressing the limitations of traditional generative models that often overlook rare reaction patterns. By mimicking the divergent thinking of chemists, ReactionTeam utilizes a team of specialized expert models to predict a wider array of plausible outcomes for given reactants. This innovative framework not only improves prediction accuracy but also opens new avenues for designing synthetic routes, potentially leading to groundbreaking advancements in synthesis techniques. The framework's performance has been validated against two widely used datasets, demonstrating significantly better results compared to existing state-of-the-art approaches. As the field of synthetic chemistry continues to evolve, ReactionTeam represents a promising step towards more comprehensive and effective reaction prediction methodologies.