Retrosynthesis

ChemAIRS® is an AI-powered retrosynthesis platform developed by Chemical.AI, designed to help chemists discover optimal synthetic pathways for both existing and novel molecules. By combining machine learning with chemical intuition, ChemAIRS generates feasible and diverse synthetic routes, accelerating synthesis planning across pharmaceutical and broader life sciences research.

The platform is built for research teams seeking to streamline route design, reduce costs, and improve reproducibility — all while maintaining the security of proprietary data. ChemAIRS addresses the full synthesis planning workflow, from initial route generation through to optimization and experimental validation.

Expand Synthesis Possibilities

• Combines machine learning with chemical intuition to generate feasible, diverse synthetic routes
• Supports synthesis planning for both known and novel molecules
• Provides chemists with a broader range of viable pathway options

Accelerate Route Design

• Offers multiple reaction strategies to give chemists new approaches to synthesis
• Helps optimize yield, reduce costs, minimize complexity, and shorten synthesis routes
• Enables faster decision-making during the route design process

Optimize Routes with Building Block Data

• Integrates tens of millions of building block data points
• Enables identification of shorter, more efficient synthetic routes
• Reduces synthesis steps by 20% to 70%, improving overall process efficiency

Enhanced Reliability with ELN Integration

• Accesses millions of Electronic Lab Notebook (ELN) entries
• Identifies reliable synthetic routes based on previous experimental success
• Ensures higher reproducibility and efficiency by leveraging historical lab data

Secure Local Deployment

• Supports secure local deployment to protect proprietary research
• Features dynamic access control to configure data permissions by project group
• Maintains strict confidentiality and security for sensitive research data

ChemAIRS® is suited for pharmaceutical and life sciences organizations that require both powerful AI-driven synthesis planning and robust data security. Its integration with ELN systems and extensive building block databases makes it a comprehensive solution for modern synthetic chemistry workflows.