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CHEESE SynthonGPT

Trillion-scale, synthon-based search across 40T+ molecules with fully adaptive metrics.

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Docs coming soon

Full SynthonGPT documentation is in progress. In the meantime, contact us or try it at cheese.deepmedchem.com.

CHEESE SynthonGPT performs trillion-scale (synthon-based) search across 40T+ molecules with fully adaptive metrics.

  • eMolecules, SynpleChem, Xtalpi, Enamine-public
  • Substructure and superstructure search
  • Molecular pattern filtering (200+ filters)

On-Premise Endpoints

Embeddings, centroids, pairwise/matrix similarity, and visualization endpoints available exclusively with an on-premise CHEESE installation.

Conformer Alignment

Interactive 3D conformer alignment to visualise shape and pharmacophore overlap.