Toxicological Effect and Risk Assessment (TERA) Knowledge Graph

The Toxicological Effect and Risk Assessment (TERA) Knowledge Graph is based on chemical effect data from U.S. EPA ECOTOX. This data is aligned to non-proprietary identifiers using ontology alignment tools and external sources (eg. wikidata). This enables the use of external chemical knowledge graphs (eg. ChEBI, PubChem). This data set also included an aggregated (into a knowledge graph) of the NCBI taxonomy and Encyclopedia of Life traits data. Linking ECOTOX to external sources enables the extrapolation of effect data, which can extend the reach of ecological risk assessment and limit laboratory experiments. The construction and APIs to facilitate access can be found at: https://gitlab.com/Erik-BM/rappt A promising application of the knowledge graph is chemical effect prediction. This work can be found here: https://github.com/Erik-BM/NIVAUC Files: <strong>TERA.nt</strong> All data. <strong>TERA_ncbi_taxonomy.nt</strong> Aggregated into knowledge graph from the NCBI taxonomy. <strong>TERA_ecotox_taxonomy.nt</strong> Aggregated into knowledge graph from the ECOTOX species taxonomy. <strong>partial_alignment_ecotox_ncbi.nt</strong> Alignment between species NCBI and ECOTOX taxonomies. Gathered from https://cfpub.epa.gov/ecotox/ . Ground truth for aligning of <em>TERA_ecotox_taxonomy.nt and TERA_ncbi_taxonomy.nt</em> <strong>TERA_levensthein_ecotox_ncbi.nt</strong> Alignment between species NCBI and ECOTOX taxonomies using Levenshtein distance between labels. <strong>TERA_logmap_ecotox_ncbi.nt</strong> Alignment between species NCBI and ECOTOX taxonomies using LogMap alignment tool. <strong>TERA_aml_ecotox_ncbi.nt</strong> Alignment between species NCBI and ECOTOX taxonomies using AML alignment tool. <strong>TERA_agreement_alignment_ecotox_ncbi.nt</strong> Intersection of Levenshtein, LogMap, and AML alignments. <strong>TERA_alignment_ecotox_chemicals_wikidata.nt</strong> Chemical identifiers in ECOTOX aligned to Wikidata. <strong>TERA_alignment_ncbi_wikidata.nt </strong> Species identifiers from NCBI aligned to Wikidata.