To assist in toxicological assessments, there is a need for data management and data-driven decision support systems that are able to collect and integrate these heterogeneous types of information originating from these very diverse domains. DIAMONDS is a generic data management and data integration platform (Data-warehouse Infrastructure for Algorithms, Models & Ontologies towards Novel Design and Safety) that provides the basis for diverse life science projects and tools, such as ECEL 3.0 and DTOX.
DIAMONDS’ Toxicity Toolbox, called DTOX, is a project in the DIAMONDS platform aimed at toxicological hazard prediction based on Cefic-LRI AIMT4 project. Besides collecting and storing various chemical, structural and kinetic information of thousands of compounds, DTOX also contains various transcriptomics data sets. This is augmented with diverse sources of (in vivo) toxicological data that are integrated into a single label of toxicity. With traditional read-across approaches, the potential toxicity of a novel compound is based on compounds that are structurally similar to that compound and for which toxicological endpoints and biomarkers are known. DTOX strengthens traditional read-across by combining structural similarities with similarities based on biological responses, i.e. based on the available processed transcriptomics data. This online tool demonstrates the compound module and the case studies module for a limited set of compounds.
Access
DTOX will be released in July 2019
User help
Users will be able to receive technical assistance (via TNO’s online DIAMONDS platform)
References
Publications
Danyel Jennen, Jan Polman, Joost van Delft, Eugene van Someren, Rob Stierum, Dinant Kroese, Gina Montoya-Parra, Hennicke Kamp. 2014. Data-integration of endpoints, cheminformatics and omics. Toxicology Letters 09/2014; 229:S4–S5.
Rob H Stierum, E Dinant Kroese, Jack TWE Vogels, Harrie Buist, Danyel GJ Jennen, Eugene P van Someren. The DIAMONDS platform: Providing Decision Support for Toxicological Assessment based on Integration of Structural, Toxicological and Biomarker information. In: Handbook of Biomarkers and Precision Medicine; Carini, C., Fidock, M., Gool, A. van, Eds.; Taylor & Francis: Boca Raton, 2019.
Poster
Danyel Jennen, Jos Kleinjans, Eugene van Someren, Rob Stierum, Dinant Kroese, Gina Montoya-Parra, Hennicke Kamp, Grace Patlewicz. DECO2: Moving from DECO towards OECD. Cefic-LRI 16th Annual Workshop, November 2014, Brussels, Belgium.
