Getting the most from ChemAxon and InforSense

presentation · 14 years ago
by Bruno Cherel (InforSense)

During the research process, scientists require easy access to specific data sources such as Chemistry data stored in a JChem data cartridge, various vertical applications including advanced chemical calculators and tools like the Marvin Drawing tool, as well as flexible and intuitive analytical and visualization tools. InforSense KDE with ChemSense leverages the power of ChemAxon to provide a powerful environment which makes the integration of data and tools easy. In order to give scientists the ability to address complex problems using pre-built or 'build on the fly' workflows that are reusable and flexible, we investigate the use of a number of ChemAxon components used in InforSense ChemSense. We will show how easy it is to construct meaningful workflows connecting ChemAxon functionality with other components relevant in the field of Cheminformaic research. Using a series of workflow examples, we highlight the use of ChemAxon tools to accomplish tasks such as creating vendor collections from SDF files, R-group decomposition as well as library design. Throughout these examples, the use of the ChemAxon JChem Cartridge and Marvin tools make it possible for these tasks to be completed with ease.