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Working with ChemDraw JS

ChemDraw JS is a library for working with chemical structures. Its features include drawing chemical structures and reactions and converting names to structures and structures to names. It also supports hotkeys and shortcuts, structure templates, and structure query tools.

Notable users of ChemDraw JS include ChemDraw Cloud, Signals Notebook Individual Edition, Lead Discovery, and PerkinElmer Signals Lead Discovery.

A demo site (also see archived version) showcases the features of the library.

Using ChemDraw JS

To use ChemDraw JS in your app, you need a license file. You can get the license file by contacting PerkinElmer.

Load the ChemDraw JS script:

<script src="https://chemdrawdirect.perkinelmer.cloud/js/chemdrawweb/chemdrawweb.js"></script>

This script loads the perkinelmer object into the window which is used to create a ChemDraw JS instance:

window.perkinelmer.ChemdrawwebManager.attach({
  license: '<?xml version="1.0" encoding="UTF-8" standalone="no"?><License ...',
  element: document.getElementById("chemdraw-mounting-point"),
  callback: (chemdraw) => {
    // Use the `chemdraw` instance here, call APIs, etc.
  },
  errorCallback: (error) => {
    // ...
  },
});

In the callback callback, use the chemdraw to load an example CDXML:

const dimethylamineCdxml = `<?xml version="1.0" encoding="UTF-8" ?>
  <!DOCTYPE CDXML SYSTEM "http://www.cambridgesoft.com/xml/cdxml.dtd">
  <CDXML>
    <page>
      <fragment>
        <n id="9" p="106 118" />
        <n id="11" p="131.98 103" Element="7" />
        <n id="13" p="157.96 118" />
        <b id="12" B="9" E="11" />
        <b id="14" B="11" E="13" />
      </fragment>
    </page>
  </CDXML>`;

chemdraw.loadCDXML(dimethylamineCdxml);

ChemDraw JS resources

See also

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A collection of elaborate, large-format chemical structure depictions. Discover the fine details of chemical structures in their own right.

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A systematic, visual guide to the chemical elements.

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Convert SMILES (simplified molecular-input line-entry system) to a structure online.

A curated list of awesome resources on SMILES (simplified molecular-input line-entry system).

A daily crossword puzzle for chemical elements.

Convert IUPAC names to 2D structures.

A pronunciation guide for chemical elements.

A pronunciation guide for organic chemistry terms.

A web service for converting SMILES (simplified molecular-input line-entry system) to MOL.

Visualize the parse tree of a SMILES string.

A simple online editor for Mol files.

Convert IUPAC names to SMILES strings.

Improving the appearance of chemical structures by carefully adjusting the spacing between atoms and bonds.

Convert SMILES to InChI string online.

A daily crossword puzzle for chemical engineering terms.

Convert SMILES to IUPAC name online.

A pronunciation guide for biochemistry terms.

View molecular models in 3D.

A daily crossword puzzle for organic chemistry terms.

Generate IUPAC multiplicative prefixes for naming chemical compounds.

A curated list of awesome cheminformatics resources.

Discover a new molecule every day.

Convert a SMILES string to its canonical (kekulized) form.

A daily crossword puzzle for cheminformatics terms.

An online tool for converting (resolving) InChIKeys to SMILES strings.

View structural formulas of chemical compounds.

A pronunciation guide for terms in supramolecular chemistry.

A curated list of awesome ChemDraw resources, tutorials, and more.

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