Chemistry Extensions for KNIME

The Chemistry Extensions package for the KNIME open-source workflow platform complements KNIME’s existing capabilities by providing discovery scientists with access to many important cheminformatics tools, including tools that are used to visualize and transform molecular structures, compute molecular properties, and search for functional groups. KNIME is a modular data exploration platform that enables the user to visually create data flows, often referred to as data pipelines, selectively execute some or all analysis steps, and later investigate the results through interactive views on data and models. The Chemistry Extensions package introduces “chemical intelligence” to this highly extensible platform, providing researchers with chemical structure manipulation, visualization, and other important analysis features. It also enables other discovery informatics providers to ensure compatibility with KNIME.