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- W604654013 abstract "The goal of this master thesis is to develop and validate a visual data-miningapproach suitable for the screening of chemicals in the context of REACH [Registration, Evaluation, Authorization andRestriction of Chemicals]. Theproposed approach will facilitate the development and validation of non-testingmethods via the exploration of environmental endpoints and their relationship withthe chemical structure and physicochemical properties of chemicals.The use of an interactive chemical space data exploration tool using 3D visualizationand navigation will enrich the information available with additional variables likesize, texture and color of the objects of the scene (compounds). The features thatdistinguish this approach and make it unique are (i) the integration of multiple datasources allowing the recovery in real time of complementary information of thestudied compounds, (ii) the integration of several algorithms for the data analysis(dimensional reduction, generation of composite variables and clustering) and (iii)direct user interaction with the data through the virtual navigation mechanism. Allthis is achieved without the need for specialized hardware or the use of specificdevices and high-cost virtual reality and mixed reality." @default.
- W604654013 created "2016-06-24" @default.
- W604654013 creator A5082931342 @default.
- W604654013 date "2012-09-01" @default.
- W604654013 modified "2023-09-23" @default.
- W604654013 title "Data analysis and navigation in high-dimensional chemical and biological spaces" @default.
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