The Symyx Chemistry Extensions for KNIME (KNIME Nodes) enable rapid, agile development of scientific data pipelining workflows.

The Chemistry Extensions add Symyx's industry-leading chemistry capabilities to KNIME's open-source, no-fee data pipelining software. You can rapidly assemble powerful data pipelining workflows, mixing and matching Symyx chemistry with useful tools and calculators from third-party sources.

Unlock the power of Cheshire

You can assemble workflows which utilize Cheshire to handle tasks like reaction-based enumeration, Rgroup decomposition or enumeration of stereoisomers. All without writing a single line of Cheshire.

Use the power of Direct

Nodes provide access to structure searching of Symyx Direct molecule and reaction databases. Easily perform substructure, exact match or similarity searches.

Export data to Excel

Using the Chemistry Extensions' ChimeString writer node and the KNIME XLS writer node you can export your structure-containing tables, and then view them as an Isentris for Excel spreadsheet.

An Open Source solution

Symyx Chemistry Extensions for KNIME is distributed under the Aladdin Free Public License. Java source code for the nodes is included in the distribution. Some nodes require the industry-standard Symyx Cheshire chemical scripting language and Symyx Direct for full functionality.

For more information, visit the Chemistry Extensions for KNIME website.