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Retrosynthesis Engine
Faster, Cheaper and Smarter Retrosynthesis
Our AI-powered retrosynthesis engine analyzes multiple synthesis pathways at scale, processing up to 5,000 compounds per hour. Built on state-of-the-art machine learning models trained on millions of chemical reactions.
High-Throughput Analysis
Process thousands of compounds simultaneously with our distributed computing architecture. Reduce synthesis planning time from days to minutes.
Knowledge Integration
Unified chemistry knowledge base incorporating reaction databases, patent literature, and experimental data from leading research institutions.
Research & Methodology
Our retrosynthesis prediction system is based on transformer architectures adapted for molecular graph representations, following methodologies described in recent computational chemistry research.
Key References
- •Segler, M. H. S., et al. (2018). "Planning chemical syntheses with deep neural networks and symbolic AI." Nature, 555(7698), 604-610.DOI
- •Coley, C. W., et al. (2019). "A robotic platform for flow synthesis of organic compounds informed by AI planning." Science, 365(6453), eaax1566.DOI
- •Schwaller, P., et al. (2021). "Molecular transformer: a model for uncertainty-calibrated chemical reaction prediction." ACS Central Science, 5(9), 1572-1583.DOI