AI-Powered Retrosynthesis Planner
Discover novel synthetic pathways and streamline your organic chemistry research with the power of artificial intelligence.
It can take up to a minute for complex molecules—feel free to review the workflow below while we prepare your routes.
Check your network or open the planner in a new tab. Once it loads, return here to continue.
Start planning your synthesis above or pick an example to auto-fill the target molecule.
Analysis can take a little while—stay on the page as the planner evaluates your target molecule.
How to Use the Planner
- Draw or input your target molecule directly into the planner interface.
- Click the Analyze button to generate candidate disconnections.
- Explore the suggested reaction pathways and refine your synthesis strategy.
Features That Accelerate Your Research
- Advanced AI Algorithms: Leverages cutting-edge machine learning to predict logical bond disconnections.
- Vast Reaction Database: Trained on millions of published chemical reactions for high accuracy.
- Interactive Pathway Visualization: Easily explore and analyze each step of the proposed synthesis.
- Export & Share: Save your results or share them with colleagues.
Use Cases & Research Applications
ChemAI’s retrosynthesis planning software accelerates workflows for academic labs, medicinal chemistry teams, and chemical manufacturers. The planner suggests actionable reaction sequences, flags alternative disconnections, and links each step to literature-backed precedents, making it ideal for proposal drafting, route scouting, and design-make-test cycles.
- Route exploration for new APIs: Compare AI-generated synthons before committing to pilot-scale development.
- Curriculum support: Pair the planner with our learning resources to demonstrate multi-step synthesis.
- Retrosynthetic benchmarking: Validate in-house predictions against ChemAI’s curated reaction knowledge graph.
- Collaboration-ready exports: Share annotated pathways with teammates straight from the embedded interface.
Workflow Integrations & Data Coverage
Trusted Reaction Knowledge
The planner references peer-reviewed journals, open reaction databases, and ChemAI’s proprietary parsing pipeline to maintain high-confidence disconnections. Frequent updates capture emerging synthetic methodologies and late-stage functionalization strategies.
Ready for Digital Chemistry Stacks
Export predicted intermediates, SMILES strings, and reagents to ELN platforms or connect with our broader services catalog for downstream simulation, property prediction, and lab automation support.
Retrosynthesis Planner FAQs
How accurate are the AI-generated retrosynthesis routes?
Routes are scored against millions of experimentally verified reactions and updated continuously. ChemAI flags confidence levels so chemists can prioritize disconnections with strong precedent while exploring novel pathways responsibly.
Can I edit or override steps suggested by the planner?
Yes. Use the embedded editor to reorder steps, swap reagents, or insert custom transformations. The planner recalculates downstream disconnections when edits are made, helping you iterate faster.
Does the tool support complex molecules with multiple stereocenters?
The model incorporates stereochemical constraints and suggests protecting group strategies when necessary. For highly congested targets, allow extra time during the initial analysis as the engine enumerates feasible pathways.
How can educators incorporate the planner into coursework?
Instructors can assign molecules using the planner, ask students to justify AI-recommended routes, and connect findings with our open resources hub for supplementary reading.