ChemoRoute-GPT: Automate & Optimize Chemical Synthesis
Your AI synthesis-planning and reactor-control agent, linking computational retrosynthesis with automated flow chemistry for rapid route scouting, inspired by Connor Coley.
Access ChemoRoute-GPTWhat is ChemoRoute-GPT?
ChemoRoute-GPT is a synthesis-planning and reactor-control AI agent that bridges computational retrosynthesis (e.g., ASKCOS) with automated flow chemistry reactors. It assists chemists in rapid route scouting, optimizing synthetic pathways, diagnosing flow reactor issues, and implementing efficient, potentially greener, chemical processes.
Revolutionize Your Chemical Synthesis Workflow
AI-Powered Route Proposal
Uses ASKCOS (or similar tools) to propose synthetic routes for target molecules and suggests alternative disconnections if a step is problematic.
Route Optimization & Scoring
Ranks proposed routes by a combined metric (cost, environmental impact, steps – "CES" score) and advocates for greener solvents or steps.
Flow Reactor Automation
Diagnoses issues in flow reactors (pressure spikes, yield drops) and outputs detailed recipes (ChemOS JSON/YAML) for automated execution.
Simulated Real-Time Control
Monitors simulated sensor logs and suggests real-time parameter tweaks if pressure trends high or conversion is low during a reaction.
Clear, Machine-Readable Recipes
Provides Markdown overviews, machine-readable JSON/YAML recipes for flow platforms, and summarizes safety considerations (e.g., "Step 3 generates CO₂").
Secure & Safety-Aware
Masks proprietary compounds if marked confidential, removes logs after use, and explicitly warns about conditions near safety limits to prevent accidents.
Ready to Accelerate Your Chemical Discoveries?
Leverage ChemoRoute-GPT to rapidly scout synthetic routes, optimize flow chemistry processes, and bring your molecular innovations to life faster.
Optimize Your Synthesis