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Cheminformatics tools for powering modern chemistry workflows

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SaguaroChem

Professional synthesis literature search — no institutional access required

Search synthesis literature by chemical structure — substructure, similarity, or exact match. Results include reaction conditions, yield, and source documents from journals and patents. Built for independent researchers and small teams who need professional-grade search without an institutional license.

  • Substructure and similarity search powered by RDKit
  • Exact, substructure, similarity, and reaction search modes
  • Molecule drawing (Ketcher) or SMILES input
  • Results from peer-reviewed journals and patents
  • Full experimental context for patent results
Substructure Search + Scale Filter
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library
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ChollaChem

Performant, comprehensive name-to-SMILES conversion

Performant, comprehensive, and customizable name-to-SMILES conversion. Convert chemical names to machine-readable SMILES notation with high accuracy.

  • Name-to-SMILES conversion
  • Performant and fast
  • Comprehensive coverage
  • Customizable rules
Name → SMILES Conversion
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library
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AgaveChem

Reaction classification and atom mapping

Reaction classifying and atom mapping library for understanding and categorizing chemical reactions.

  • Reaction classification
  • Atom mapping
  • Open-source Python library
  • MIT licensed
Atom Mapping with Stoichiometry
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api
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SonoraChem

AI-powered synthesis API

Complete AI-powered synthesis planning API. Includes chemical reaction extraction, forward reaction prediction, template-free procedure retrosynthesis prediction, procedure and condition prediction given reactants and products, purification protocol prediction, chemical reaction retrieval, and one-step templated retrosynthesis prediction.

  • Chemical reaction extraction
  • Forward reaction prediction
  • Template-free retrosynthesis
  • Procedure & condition prediction
  • Purification protocols
  • Reaction retrieval
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API