MCP For Claude Marketplace
Retrosynthetic Analysis Engine

Retrosynthetic Analysis Engine MCP Connector for Claude

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Deconstruct complex molecules into simpler precursors using strategic disconnection analysis.

4 tools Official Updated Oct 1, 2026 Official Vinkius Partner
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This MCP server provides a complete suite of tools for chemical retrosynthesis. It allows AI agents to perform strategic bond disconnections, identify theoretical synthons, map synthons to real-world synthetic equivalents, and construct full hierarchical route trees. By using analyze_disconnections, agents can find optimal breaking points, while generate_route_tree provides a complete map from the target molecule down to available starting materials.

retrosynthesischemistrymolecular-designorganic-synthesischeminformatics

4 tools expose this connector's capabilities to your AI agent.

generate_route_tree

Constructs a complete hierarchical map of the synthetic pathways from the target down to available precursors

map_synthetic_equivalents

Suggests real-world chemical reagents that can perform the function of the theoretical synthons

analyze_disconnections

Identifies the most logical points to break the target molecule to simplify its structure

identify_synthons

Converts the identified strategic bond breaks into theoretical chemical fragments

See how to talk to your AI agent using Retrosynthetic Analysis Engine.

Find the best strategic bonds to break for the molecule C1=CC=CC=C1.

The strategic bonds for benzene (C1=CC=CC=C1) have been identified with a complexity reduction score of 0.5.

What are the synthetic equivalents for these synthons: [{"formula": "CH3+", "charge": 1, "type": "carbocation"}]?

The suggested reagent for the methyl cation synthon is Methyl Iodide (CH3I).

Generate a route tree for the target molecule CC(=O)C.

The synthetic route tree for acetone (CC(=O)C) has been generated, showing pathways to simple precursors.

You can analyze molecules provided in SMILES or IUPAC format using the `analyze_disconnections` tool.

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