Multi-Step Retrosynthesis: Predict a full route to purchasable materials
Unlike the single-step page, this tool
proposes a complete synthetic route: the target is disconnected recursively
until every leaf is (ideally) a purchasable compound, checked against a
23-million-compound stock (eMolecules + buyables). Routes are computed by
DirectMultiStep models and rendered by RDKit.js directly from
the model's raw SMILES, shown beneath each structure.
checking server…
Model:
DirectMultiStep Explorer XL
computing routes… 0 s
Multi-step search takes noticeably longer than a single-step
prediction — up to a few minutes for complex targets.
Predicted routes
Read each tree top-down: the target is at the top; the arrow means
"is made from"; leaves are starting materials.
all starting materials in stock = every
leaf was found in the 23-million-compound purchasable set;
contains non-purchasable materials =
at least one leaf would itself need to be made or sourced.
Enjoying the tool?
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and justify keeping the service running. You can keep using it either way.