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NeoChem overview
NeoChem

NeoChem

Neo's chemistry app for drawing structures, building reaction schemes, browsing the periodic table, exporting images and converting chemical formats.

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NeoChem is Neo’s chemistry app. It has the same window, theme, preferences and shortcut style as NeoMath, and opens straight into the chemical scheme editor: structures, plus signs, reaction arrows and text, in sequence.

NeoChem window with the structure library on the left and a reaction scheme in the drawing area.
NeoChem: structure library on the left, drawing area in the center and the inspector on the right.

Build a scheme#

  1. Type a SMILES (CC(=O)O), a formula or a catalog structure name in the input field. Ctrl+KI takes the cursor to the field.
  2. Or pick a ready-made structure from the library, organized by category and searchable.
  3. Add plus signs (Ctrl+KM), arrows (Ctrl+K1 to Ctrl+K5) and free text (Ctrl+KT).
  4. Rotate, flip, duplicate and rearrange items with the inspector or the shortcuts.
  5. Save the scheme as .neochem (Ctrl+S) or export it as an image.
NeoChem structure library with thumbnails organized by category.
The library: categories with thumbnails, search and shortcuts to insert each structure.

Periodic table#

The periodic table has all 118 elements, with category filters and each element’s data: standard atomic mass, group, period, electron configuration, electronegativity, oxidation states, melting and boiling points and isotopes.

NeoChem periodic table with elements colored by category and filters on top.
Periodic table with pill filters: each category has its own color and shape.

Formats#

Input Output
SMILES (.smi, .smiles), MOL V2000 and V3000, SDF, CML, CDML, CDXML, KET, RXN SMILES, MOL, SDF, CML, JSON, SVG, PNG, JPEG, TIFF, WebP, JPEG XL, EMF, chemfig
  • .neochem is NeoChem’s own file (CML of the scheme with an identification header).
  • Images reopen for editing in NeoChem, as in NeoMath.
  • The curved arrow comes out curved in SVG, PDF, EPS, EMF and the image formats, and in CDXML. In KET, CDML, CML, RXN and chemfig it is written straight, with a warning in the export report.
  • Drawing texts accept any installed font. In EPS and PDF, a font other than Times or Helvetica goes as outlines, with the exact drawing of the font.

Main shortcuts#

Chemistry shortcuts use the Ctrl+K chord:

Shortcut Action
Ctrl+KM plus sign
Ctrl+K1 to Ctrl+K5 arrows: reaction, equilibrium, retrosynthesis, resonance, reversible
Ctrl+KT free text
Ctrl+KD / Ctrl+KZ duplicate / remove
Ctrl+KR, Ctrl+KE rotate and rotate back
Ctrl+KF, Ctrl+KV flip horizontally and vertically
Ctrl+KS, Ctrl+KP, Ctrl+KC save SVG, PNG, CML
Ctrl+KY, Ctrl+KK, Ctrl+KJ copy image, SMILES, CML
Ctrl+KQ and the template key insert a catalog structure

The full list and how to customize are in Keyboard shortcuts.

Chemistry in formulas and equations#

NeoMath understands \ce{}, \ch{}, \pu{} and chemmacros commands in any equation, in the API and in MCP:

LaTeX
\ce{CaCO3 ->[\Delta] CaO + CO2 ^}

Automation#

NeoChem has its own command line (neochem), neo.quimica.* functions in NeoScript and the chem_* tools in the MCP server. See Command line and MCP server.