Nodes make Tripos' cheminformatics capabilities available to the KNIME platform
The Tripos® Chemistry Extensions package introduces "chemical intelligence" to the KNIME platform, providing researchers with chemical structure manipulation, visualization, and other important analysis features.
Complementing KNIME's existing capabilities by providing access to many important cheminformatics and modeling tools, the Tripos Chemistry Extensions package enables KNIME users to read, write and process chemical structures, to perform basic and advanced cheminformatics tasks such as computing molecular properties and searching for functional groups, and to visualize, transform, and interpret molecular structures.
A number of basic capabilities, such as file I/O, composite score building, or fingerprint computation do not require a license, so KNIME users may download and access this functionality as a free, unsupported license.
Other capabilities, such as 2D to 3D molecule conversion, superimposing molecules, UNITY searching and 3D visualization require separately licensed software in order to work.
Download the The Tripos Chemistry Extensions for KNIME from www.tripos.com/download in the SYBYL section (registration is required), or ask us for more information about implementing the Tripos Chemistry Extensions for KNIME today!