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.
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);A collection of elaborate, large-format chemical structure depictions. Discover the fine details of chemical structures in their own right.
A pronunciation guide for biochemistry terms.
View structural formulas of chemical compounds.
A daily crossword puzzle for cheminformatics terms.
Convert IUPAC names to SMILES strings.
Convert a SMILES string to its canonical (kekulized) form.
Convert SMILES to InChI string online.
Discover a new molecule every day.
An online tool for converting (resolving) InChIKeys to SMILES strings.
A daily crossword puzzle for organic chemistry terms.
A pronunciation guide for chemical elements.
A pronunciation guide for organic chemistry terms.
Improving the appearance of chemical structures by carefully adjusting the spacing between atoms and bonds.
A web service for converting SMILES (simplified molecular-input line-entry system) to MOL.
A simple online editor for Mol files.
A curated list of awesome cheminformatics resources.
A daily crossword puzzle for chemical elements.
Convert SMILES (simplified molecular-input line-entry system) to a structure online.
A pronunciation guide for terms in supramolecular chemistry.
A pronunciation guide for cheminformatics terms.
A curated list of awesome resources on SMILES (simplified molecular-input line-entry system).
Convert SMILES to IUPAC name online.
Convert IUPAC names to 2D structures.
Visualize the parse tree of a SMILES string.
A daily crossword puzzle for chemical engineering terms.
A curated list of awesome ChemDraw resources, tutorials, and more.
View molecular models in 3D.
Generate IUPAC multiplicative prefixes for naming chemical compounds.
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