AI-Planned Total Synthesis Routes for Natural Products
SynthAtlas is an open, interactive database of AI-planned synthesis routes for complex natural products, developed from the SynthEx agentic synthesis-planning framework. It provides synthetic chemists with a resource for exploring strategic disconnections, alternative synthetic pathways, and AI-generated routes to challenging natural-product scaffolds. By combining multiple synthesis strategies with route construction, critique, and refinement, SynthAtlas extends AI-assisted retrosynthetic planning beyond conventional reaction-template approaches. With routes covering more than 1,000 natural products, it offers a valuable platform for synthetic strategy development, computational chemistry, and AI-assisted organic synthesis.
⚠️ Important Note: These routes are AI-proposed and have not been experimentally validated. Treat each route as an idea of how a compound could potentially be synthesized, rather than as an experimentally established synthetic procedure.
SynthAtlas
AI-Planned Total Synthesis Routes for Natural Products
| Field | Details |
| Developer | Schwaller Group and collaborating researchers |
| Category | AI & Machine Learning |
| Primary Applications | AI-assisted retrosynthetic planning, strategic disconnection analysis, total synthesis planning, and exploration of synthetic routes to complex natural products |
| Chirality Relevance | Relevant to the synthesis of stereochemically rich natural products. AI-generated routes can be examined for stereogenic centers, stereoselective transformations, and preservation or establishment of stereochemical features. Not a dedicated chirality or stereochemical synthesis-planning tool. |
| Platform | Web-based, interactive database |
| License | Open / freely accessible |
| Key Features | AI-generated synthetic routes; strategic retrosynthetic disconnections; multiple synthetic strategies; multi-step route construction; route critique and refinement; strategy annotation; interactive exploration of natural-product targets |
| Website | https://synthatlas.epfl.ch/#/ |
| Operating System | Web-based — OS independent (Windows, macOS, Linux) |
SynthAtlas represents an interesting intersection of artificial intelligence and synthetic chemistry , providing chemists with AI-generated strategic routes to structurally complex natural products. Its relevance to Chiralpedia lies particularly in the stereochemically rich nature of many natural-product targets, where successful synthesis requires consideration of both molecular connectivity and stereochemical outcomes.
Strategy-first synthesis planning for complex natural products Daniel Armstrong et al.arXiv:2608.07454 (2026).
