Spark Creativity in Route Design

We offer various reaction strategies, providing chemists with new ideas for designing routes that could potentially have higher yields, lower costs, reduced complexity, and fewer steps. 

Speed Up Route Design

On average 1 to 5 minutes per molecule, avoiding search duplication. 65% reduction in search time compared to manual search and condition optimization. 

ELN Data Integration

Import of millions of ELN entries, with a reaction search success rate reaching 99%.  Similar molecular route design can be recommended based on ELN route strategies, making the routes more reliable.

Local Deployment

Dynamic configuration of access permissions for different project groups to ensure the security of customer data. 

Building Block (BB) Data Integration

Integration of tens of millions of BB data points to assist in uncovering potentially shorter routes, with the overall potential to reduce total steps by 20-70%.

Challenge

A top-tier CRO blind tested 9 competing retrosynthetic algorithms to propose synthetic routes for 60 structurally diverse, difficult target molecules.

Evaluation

A expert team of decades' experience in synthesis evaluated the diversity and feasibility of ideas beyond existing human options.

Outcome

ChemAIRS outperformed all other competing rule and/or data-based algorithms. The client further evaluated and incorporated ChemAIRS in its chemistry synthesis workflow.