ChemOntology AI Mimics Human Intuition for Chemical Discovery
Scientists in Japan have developed an artificial system to mimic human intuition and study chemical reactions with speed and accuracy. ChemOntology is a system that emulates human intuition to hasten the search for new chemical processes.
The ChemOntology System
The ChemOntology system's main function is to generate potential chemical structures and compute their energies. In this way, reactions with chemical significance could be detected quickly while ignoring structures that are not relevant. This smart concept of chemistry may reduce the time and cost of carrying out numerous experiments, this is how ChemOntology is said to bring a new dimension to chemistry.
Testing with the Heck Reaction
This classic reaction is an ideal test case for the ChemOntology AI, as it features considerable difficulty with intermediate steps, having shown in the past to yield multiple products. In half the time required for classical theoretical calculations, ChemOntology mapped out all reaction pathways for the Heck reaction.
Impact on Chemical Discovery
The positive testing results suggest that ChemOntology is something of a new breed of tools for the discovery of chemical reactions. It has collapsed the identification of valid reaction pathways into a matter of weeks and has the potential to blur the line between research and development in chemistry.
