NewChem Database
Local-first structure search, chemistry metadata, and workflows.
NewChem Database is the flagship app in the NewChem ecosystem. It keeps structures, tags, and annotations on your machine while delivering powerful RDKit-backed search and naming tools.
NewChem Database is in early alpha. Email contact@newchem.ca
if you want to join the alpha.
Core capabilities
Structure search
Substructure and similarity search with fast RDKit execution.
SMILES ↔ InChI
Loss-aware conversion, naming, and consistency checks.
Tagging + metadata
Organize molecules with custom tags, notes, and metadata fields.
Rarity metrics
Heuristic measures for how common a molecule is across datasets.
Local-first by design
The database is meant to live on the researcher's own machine. That means no required cloud uploads, stronger privacy, and predictable performance even without an internet connection.
Built for real labs
- Offline operation and durable file formats
- Work on secure or air-gapped machines
- Full control over what leaves the system
Screenshots
