The NewChem™ field guide

Open the app.
Do the chemistry.

A practical guide to NewChem™ 0.67k: ten connected desktop tools plus a packaged command line for local, scriptable chemistry.

Start hereBrowse every tool
NewChem™ FTIR Analyzer displaying a real experimental carvone spectrum with seven picked and labelled bands.
Experimental carvone spectrum · seven picked bands

0.67kcurrent alpha release

GUI + CLIvisual work and automation

Localrecords stay on your machine

Offlinecore workflows need no account

01 / QUICKSTART

Five minutes to useful

Begin with one real molecule.

  1. 01

    Install NewChem™

    Choose the 0.67k download for your system. The alpha build begins with an empty molecule library and does not depend on a development machine.

  2. 02

    Open Molecules

    Add a known name or structure, or use ChemScan to recognize a structure image. Review the record before saving it.

  3. 03

    Select the record

    Your selected molecule follows you into tools that use molecular context, including EZ-LC, EZ-Cryst, and 3D View.

  4. 04

    Work, then export

    Inspect spectra, calculate conditions, pick peaks, or generate a conformer. Export the result when it needs to leave NewChem™.

02 / TOOL GUIDE

Every shipped workspace

Know where to reach.

01

Library

Molecules

The durable center of NewChem™: searchable local records with structures, identifiers, properties, notes, provenance, and lock state.

Use it for

  • Search by name, SMILES, InChI, CAS number, or substructure
  • Add, import, rename, lock, and inspect records
  • See verified status and generated molecular properties
  • Undo record changes before they become mistakes

Good habit Lock records you consider authoritative. Verification communicates confidence; it does not replace your review.

NewChem™ 0.67h Molecules workspace showing 19 public-reference records with Estradiol selected and its detailed structure visible.
Public-reference records shown for demonstration; your public library begins empty.
02

Recognize

ChemScan

Turn a chemical structure image into an editable result while keeping the human review step explicit.

Workflow

  1. Open or paste the clearest source image available, then crop to one primary structure.
  2. Run recognition; the first run can take longer while its local dependency initializes.
  3. Compare the source and result, correct the structure, and acknowledge the review.
  4. Search your library or add the reviewed molecule.

Know the edge Multi-step schemes, abbreviations such as OTs or PMB, radicals, lone pairs, and dense annotations need manual interpretation. 0.67k blocks disconnected multi-structure results from database actions rather than presenting them as one molecule.

NewChem™ 0.67h ChemScan comparing a complex Estradiol source image with its recognized editable stereochemical result.
Estradiol recognition · compare the source, edit the result, and explicitly acknowledge review.
03

Analyze

Masster

Inspect mass-spectrometry data without leaving the NewChem™ workspace.

Core moves

  • Open supported vendor raw data and common open mass-spectrometry formats
  • Move between scans, chromatograms, and peak views
  • Interact with peaks and keep undo/redo close at hand
  • Export the analysis for reporting or the next workflow
NewChem™ Masster showing a 59-scan Agilent MassHunter LC–MS reference run with its chromatogram, selected mass spectrum, peak labels, and evidence panel.
Agilent MassHunter LC–MS reference run · 59 scans with chromatogram, labelled spectrum, and evidence.
04

Analyze

FTIR Analyzer

Load instrument data, establish the baseline, and turn an experimental spectrum into a readable set of bands.

Accepted work

  • Open OMNIC SPA, Bruker OPUS, JCAMP-DX, and text or CSV spectra
  • Adjust the view and baseline before assigning bands
  • Pick, label, undo, and redo peaks
  • Export the spectrum and its picked-peak evidence

Read the sample Confirm axis direction and units before interpreting exported or converted data.

NewChem™ FTIR Analyzer displaying a real experimental carvone spectrum with seven picked and labelled bands, alongside its picked-peak evidence.
Experimental carvone spectrum · seven picked and labelled bands with evidence in view.
05

Separate

EZ-LC

Use the selected molecule to generate a defensible starting point for liquid chromatography method development.

Before you run it

  • Select the intended structure in Molecules
  • Review the molecular context used by the recommendation
  • Treat the output as a starting condition, not a finished method
NewChem™ 0.67h EZ-LC displaying molecular descriptors, constraints, and ranked starting methods for Estradiol.
Estradiol method-development starting point · ranked conditions with explicit constraints.
06

Crystallize

EZ-Cryst

Translate the selected molecule into practical crystallization starting points and an experimental plan.

Use the recommendation

  • Start with a reviewed molecule record
  • Compare solvent and technique suggestions
  • Record what worked in your own experimental system
NewChem™ 0.67h EZ-Cryst displaying a ranked solvent-system report and starting experiments for Estradiol.
Estradiol crystallization plan · ranked solvent systems and practical starting experiments.
07

Utilities

Converter

Keep recurring bench calculations close to the molecule and instrument work they support.

Use it for

  • Common chemistry unit conversions
  • Concentration and amount calculations
  • Fast checks before committing a setup
  • Persistent inputs where the workflow supports them
NewChem™ 0.67h Converter using Estradiol's loaded molecular weight to calculate 408.582 milligrams from 1.5 millimoles.
Selected-molecule calculation · 1.5 mmol Estradiol normalizes to 408.582 mg.
08

Utilities

Boiler

Estimate pressure-dependent boiling behavior from local solvent reference data.

Keep in mind

  • Choose the correct solvent record
  • Enter the intended pressure and verify its units
  • Use the estimate to plan, then respect real apparatus limits
  • Your recent working context persists locally
NewChem™ 0.67h Boiler showing ethanol at 100 torr, its Antoine pressure-temperature curve, structure, and pressure sweep table.
Ethanol at 100 torr · Antoine model, structure, curve, and pressure sweep.
09

Utilities

3D View

Generate and inspect an RDKit conformer for the molecule currently selected in the library.

What it is

  • A fast local spatial view of the selected structure
  • Useful for inspection, teaching, and orientation
  • Rotatable and connected to the library selection
  • Not a substitute for a validated computational geometry
10

Reference

Cofactors

A focused biochemical reference that stays connected to the rest of the workspace.

Find the context

  • Search curated cofactor records
  • Inspect identifiers and chemical context
  • Send a supported cofactor structure directly to 3D View
  • Keep the reference available offline
NewChem™ 0.67h Cofactor Library showing heme search results, a selected heme structure, enzyme links, and PDB evidence.
Heme reference search · structure, enzyme links, organism coverage, and PDB evidence.

03 / INSTALLATION

A clean public build

What arrives on your machine.

An empty library

The public installer does not arrive with preloaded molecule records. The records you add are yours.

No hidden workstation

The installed app carries its own required runtime and is tested without depending on the development environment.

A packaged command line

The included newchem command returns stable JSON for all twelve automation workspaces, including library, analytical, recommendation, calculation, 3D, cofactor, configuration, and database operations.

An unsigned warning

Current builds are unsigned. Windows or macOS may ask you to confirm the first launch; verify that your download came from newchem.ca.

Visible installation progress

The Windows installer reports its current stage while it validates, extracts, prepares ChemScan, registers shortcuts, and finishes.

Local by default

The core library and working data stay on your machine. NewChem™ does not require an account or subscription.

Keep the guide nearby

Learn one tool.
Own the whole workflow.

NewChem™ is deliberately broad, but each workspace is meant to be understandable on its own. Start with the problem in front of you.

Download NewChem™ 0.67kAsk a real question