Docs

Documentation for NewChem Database 0.3.1.

NewChem Database is a local-first chemistry desktop app for molecule search, records, and practical research workflows. This page covers the current 0.3.1 alpha release, what invited users can do with it today, and how to request access.

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Current release

Version 0.3.1 is the current invited-alpha release for Windows users.

Current release

Version

  • The current alpha release is NewChem Database 0.3.1
  • The release being shared today is Windows-first
  • Windows 10 and 11 are the primary supported platforms

Availability

  • NewChem Database is currently in invited alpha
  • Access is shared directly with early users by email
  • Public self-serve downloads are not yet open

Designed for

  • Researchers who want local control over chemistry data
  • Teams that need practical structure search and recordkeeping
  • Workflows where privacy, reproducibility, and offline use matter

What is included in 0.3.1

Local molecule records

  • Create and work from a local SQLite-backed molecule database
  • Store identifiers, notes, tags, and practical research metadata
  • Keep your working data on your own machine

Search and structure handling

  • Search by Name, SMILES, InChI, CAS, and Substructure
  • Use RDKit-backed structure handling for search and identity checks
  • Open the drawing tool to sketch and search structures visually

Review and export

  • Review properties, hazards, synonyms, routes, tags, and notes
  • Export current results as CSV or SDF
  • Save local backup copies of the current database

Optional tools

  • ChemScan for image-to-structure workflows through a local setup
  • Speech to Chem for local-only speech-driven input
  • Converter tools for bench and calculation support

Current release boundary

  • The current alpha release is centered on the molecule database workflow
  • Reaction workflows are not part of the current public release scope
  • Broader polish and wider distribution are still ahead of this release

Getting started

Install and open

  • Install the alpha build shared with you by NewChem
  • On first run, let the app initialize the local schema and required data
  • Once setup is complete, the core database workflow is local-first by design

Search and add molecules

  • Use the Type dropdown for Name, SMILES, InChI, CAS, or Substructure
  • Input auto-detection reroutes clear identifiers even if the selected type is wrong
  • Add molecules to the local database and review them in the detail panel

Organize and review

  • Use tags, notes, and metadata to keep project records organized
  • Review properties, hazards, synonyms, and related details for each molecule
  • Use filters and sorting to narrow the working set

Share and save

  • Export the current table view as CSV
  • Export molecules as SDF for structure exchange
  • Save a copy of the current database for local backup snapshots

FAQ

Is the database cloud-hosted?

No. The NewChem Database is local-first and runs entirely on your machine.

What is the current release?

The current invited-alpha release is NewChem Database 0.3.1.

Can I use it offline?

Yes for the core database workflow. Optional enrichment, ChemScan setup, and first-time speech runtime setup can still require internet access or local runtime installation.

When will downloads be public?

NewChem is currently onboarding invited alpha users directly. Contact us by email if you would like to request access.

Are reactions part of the current alpha?

No. The current alpha release is centered on the molecule database workflow. Reaction workflows are not part of the current public release scope.

Technical notes

NewChem Database 0.3.1 remains Windows-first and local-first. RDKit handles structure parsing and search, and the core data lives in a local SQLite backend. The current release focuses on practical molecule search, identifier handling, hazards, notes, tagging, export, and reproducible local records. Optional ChemScan and Speech to Chem workflows also stay local-only, but they are more setup-heavy than the core database experience.

Formats + runtime

  • Name, SMILES, InChI, CAS, and substructure search inputs
  • CSV and SDF export, plus local database-copy backup workflows
  • Windows 10/11 is the primary supported runtime path today