✣ConstellationsDeepMedChem
Connecting to development
MOLECULAR DISCOVERY STUDIO

A clearer path through chemical space.

Describe your molecules. Refine the query. Follow the chemistry.

1 Describe2 Review3 Explore
THE CHEMICAL SPACE

Synthon constellations

Loading UMAP…Role A Role B Role C Role D
A constellation connects the synthons of one molecule.UMAP is an exploratory fragment map.
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Your next discovery starts with a question.

Review the query, then watch verified molecules arrive.

0 matches
VERIFIED AGAINST YOUR QUERY

Discovered molecules 0

Structures, properties, and estimated prices in one place.
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Make room for a new idea.

Your matching molecules will appear here,
linked to their building blocks above.

Refine your molecular query

Take your discoveries with you.

CSV Structures, prices & propertiesSDF Molecules for your chemistry toolsSMILES Simple screening listQuery record Confirmed settings & provenance

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The compound list is attached automatically when sent. This requests a quotation; it does not place a purchase order.

Aligned conformer overlap
Reference Candidate Download aligned SDF

A transparent discovery workflow.

Codex translates your request into editable parameters. After confirmation, the DeepMedChem Python SDK searches the development API. Each displayed product is checked against the confirmed constraints.

The map animates returned candidates and their real constituent synthons. The API does not expose its internal candidate traversal. Sampled backdrops and interpolated fragment positions are labelled; distances are not calibrated similarity scores.

Results are bounded by the candidate and time budgets. A small or empty result set does not prove that the complete database has no more matches.