SOURCE: Symyx Technologies, Inc.

October 15, 2008 08:00 ET

Symyx Adds Chemistry to KNIME Open-Source Pipelining Software

New Capabilities Accelerate R&D by Enabling Rapid and Agile Development of Scientific Data Pipelining Workflows

SANTA CLARA, CA--(Marketwire - October 15, 2008) - Symyx Technologies, Inc. (NASDAQ: SMMX) today announced the release of version 1.0 of Symyx Chemistry Extensions for KNIME. The Symyx Chemistry Extensions enhance KNIME's open-source, no-fee data pipelining software with Symyx's high-value, industry-leading chemistry capabilities. This enables R&D organizations to deliver low-cost, agile chemistry extensions and services supporting scientific workflows.

"Our chemistry users have said that making KNIME workflows accessible to Symyx chemistry technology was high on their wish list, and we are excited that Symyx is now partnering with KNIME to offer this functionality," said Prof. Michael Berthold, CEO GmbH.

"By extending KNIME pipelining software to include Symyx chemistry capabilities, we now offer customers a low-cost entry into data pipelining with the highest quality chemistry. Our customers can rapidly assemble data pipelining workflows with ease, mixing and matching Symyx chemistry with useful tools and calculators from third-party sources," said Dr. Trevor Heritage, President of Symyx Software. "Customers can rapidly deploy best-of-breed data pipelining workflows powered by the Symyx chemistry engine without incurring the high license costs typically associated with commercial pipelining software."

Examples of Symyx Chemistry Extensions for KNIME include reaction-based enumeration, stereoenumeration, specific enumeration, and Rgroup decomposition. Chemistry-specific extensions like these offer chemists an intuitive, graphical means of constructing sophisticated workflows for use when repetitively processing and reporting data. These workflows can be re-used to streamline the processing of data through the KNIME user interface. Alternatively, the workflows can be integrated into an existing application or a service.

Symyx's reaction-based enumeration extension enumerates libraries of structures from a generic reaction and a set of reactants. The stereoenumeration extension takes a structure containing stereogenic centers and enumerates it to all the discrete stereoisomers contained within the structure. The specific enumeration extension enumerates a generic structure into a library of specifics. The Rgroup decomposition extension converts a scaffold and a collection of specifics into a generic.

The Symyx Chemistry Extensions for KNIME use the industry-standard Symyx Cheshire® 4.1.1 chemical scripting language and prototyping environment. The 4.1.1 release of Cheshire provides improved performance with Oracle® databases; supports polymers, mixtures, and formulations; and handles generic structures to better meet the needs of researchers in the chemicals and consumer products industries. Symyx Chemistry Extensions for KNIME is distributed under the Aladdin 'no charge' public license. To fully utilize the product, customers require a license for Symyx Cheshire software.

Symyx Chemistry Extensions for KNIME 1.0 is available now. For more information, visit or contact


KNIME is a modular, open-source, extensible data exploration platform that enables chemists to create visual data pipelines where each step is pictorially represented as a node in the workflow. Users can selectively execute analysis steps and investigate results using interactive views of both data and models. Using the KNIME platform, scientists can integrate various information resources and software applications from different vendors into multi-step workflows supporting rich scientific analytics and improved decision making. KNIME was developed by the group of Prof. Michael Berthold at the University of Konstanz, Germany and will be maintained and continue to be developed by this group and GmbH, Zurich, Switzerland. For more information, visit

About Symyx

Symyx Technologies, Inc. (NASDAQ: SMMX) enables global leaders in life sciences, chemicals and energy, and consumer and industrial products to optimize and accelerate their scientific research and development. Through its expertise in scientific informatics management, workflow optimization, and micro-scale, parallel experimentation, Symyx helps companies transform their R&D operations to minimize the time their scientists spend on routine, repetitive tasks and to maximize their return on R&D investments. Symyx software, tools, and research services enable scientists to design, execute, analyze, and report experimental results faster, easier, and less expensively. Information about Symyx, including reports and other information filed by Symyx with the Securities and Exchange Commission, is available at

Symyx and Cheshire are registered trademarks of Symyx Technologies, Inc. All rights reserved. Oracle is a registered trademark of the Oracle Corporation in the United States and other countries. All other trademarks mentioned in this document are the property of their respective owners.

Contact Information

  • Raymond Deplazes
    Racepoint Group on behalf of Symyx Technologies, Inc.
    (415) 694-6715
    Email Contact