AI Mimics Human Intuition: A New Paradigm for Reaction Pathway Search Driven by Chemical Ontology, Replacing Brute-Force Search with Knowledge Structure

This article discusses a novel AI approach to reaction pathway search in chemistry. Instead of relying on computationally expensive brute-force methods, the AI leverages a chemical ontology to guide the search process, mimicking human intuition. This allows for more efficient and targeted exploration of potential reaction pathways. The key innovation lies in the integration of domain-specific knowledge into the AI's decision-making process. This approach has the potential to significantly accelerate the discovery of new chemical reactions and materials. The article highlights the shift from purely data-driven AI to knowledge-infused AI in scientific research, which is a promising trend.

• •AI is being used to improve reaction pathway search in chemistry.
• •The AI uses chemical ontology to mimic human intuition.
• •This approach is more efficient than brute-force methods.