De Novo Chem

Chemistry tools built for researchers, not institutions.

Synthesis literature search, reaction prediction, name-to-SMILES conversion, and atom mapping — without the enterprise price tag.

Our Products

Powerful cheminformatics tools for modern chemistry workflows

SaguaroChem

Professional synthesis literature search — no institutional access required

  • 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

ChollaChem

Performant, comprehensive name-to-SMILES conversion

  • Name-to-SMILES conversion
  • Performant and fast
  • Comprehensive coverage
  • Customizable rules

AgaveChem

Reaction classification and atom mapping

  • Reaction classification
  • Atom mapping
  • Open-source Python library
  • MIT licensed

SonoraChem

AI-powered synthesis API

  • Chemical reaction extraction
  • Forward reaction prediction
  • Template-free retrosynthesis
  • Procedure & condition prediction

Chemistry-first. Developer-ready.

From structure search to synthesis planning — professional-grade cheminformatics tools available without an institutional license.

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