For complex molecules, routes could be generated within 5 minutes, and the efficiency of route design could be greatly improved.
ChemAIRS employs the hybrid depth-breadth search approach to predict feasible single-step reactions within the controllable risk range, and combines several types of multi-step strategies to investigate diverse synthetic routes of target molecules.
ChemAIRS can analyze and sort out more feasible synthetic routes using data-driven methods combined with chemical rules, such as functional group compatibility and stereoselectivity.
Intelligent Reaction Conditions
For some common reaction types, such as Suzuki and Acid-amine condensation, reaction conditions (reagents, catalysts, temperature, etc.) and standard operating procedures can be recommended based on expert rules.