What is the Condition Optimization?

Finding optimal reaction conditions remains challenging due to the complexity and diversity of target molecules, which often contain sensitive functional groups that can react undesirably under certain conditions.

Scaling up reactions from the laboratory to industrial scale can introduce issues with yield, purity, and reproducibility, as well as increased environmental and safety concerns. 

With the "Condition Search" feature in ChemAIRS, scientists are empowered with a powerful tool to systematically navigate condition parameters, thereby enhancing the efficiency of route design.  

Selecting Reaction Conditions Systematically

All feasible reaction conditions are acquired and categorized. Moreover, each specific condition is linked to relevant references, organized according to their similarity to the target reaction.  

Providing risk alerts, risk analysis and solution

This new feature provides prompt notifications of potential undesired chemical reactions. Risk items are subsequently classified into "low" or "high" risk levels, with corresponding solutions sourced from relevant literature.