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This chapter describes the development of such a generic data management and data integration platform: Data-warehouse Infrastructure for Algorithms, Models and Ontologies toward Novel Design and Safety (DIAMONDS). The DIAMONDS platform consists of a Linux filesystem, MySQL data warehouse and a Hypertext Preprocessor -based website connecting to tools such as R, Python and KNIME. Considering the data content within DIAMONDS, omics, clinical chemistry, toxicological end point and pathology data, high-throughput screening data and extensive meta-data have been collected, curated and pre-processed. In DIAMONDS, the user has the option of obtaining the available information on chemical, physical and toxicological properties of a compound of interest by visiting the Compound module. The Distance Profiler module allows the showing of the different types of available distances measures in a single view in relation to a compound of interest. The compounds and associated data are ordered from top to bottom based on structural similarity. |
