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Deliverable Report D4.4 Mechanism-ofaction Modelling Tools

Friederike Ehrhart, Penny Nymark, Pekka Kohonen, Georgia Tsiliki, Linda Rieswijk, Haralambos Sarimveis, Egon Willighagen

This deliverable describes the mechanistic modelling task which was developed within WP 4 of eNanoMapper project. Three main issues were handled in this task: 1) we initiated a ENMs portal with nanosafety-relevant pathways to WikiPathways, an open database for biological pathways, as a basis for pathway analysis; 2) we established workflows for ENMs data analysis, (mainly transcriptomics data), to reveal the significantly and differently affected biological pathways by a variety of exposure scenarios and ENMs and we added this information to the eNanoMapper database. 3) Additionally, we are further describing the implementation of pathway descriptors, an integration methodology to group omics data for QSAR modelling. A case study is presented for descriptors created with information derived from gene ontologies using a proteomics data set.
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