Symyx Technologies, Inc., a US-based provider of technologies for R&D, has announced the release of version 1.0 of Symyx Chemistry Extensions for KNIME. 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. The Symyx Chemistry Extensions are seen to enhance KNIME's open-source, no-fee data pipelining software with Symyx's high-value chemistry capabilities, enabling R&D organisations to deliver low-cost, agile chemistry extensions and services supporting scientific workflows.
By extending KNIME pipelining software to include Symyx chemistry capabilities, the company seeks to offer customers a low-cost entry into data pipelining with the highest quality chemistry. Customers can now rapidly assemble data pipelining workflows with ease, mixing and matching Symyx chemistry with useful tools and calculators from third-party sources. Examples of Symyx Chemistry Extensions for KNIME include reaction-based enumeration, stereoenumeration, specific enumeration and Rgroup decomposition. Chemistry-specific extensions like these are seen to 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.
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 licence. To fully utilise the product, customers require a licence for Symyx Cheshire software.
