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Published September 24, 2024 | Version v1
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Large scale ontology based latent semantic indexing (OLSI) of scientific publications to create toxicology prediction systems

  • 1. MolGenie

Description

Presentation held at the zeroPM workshop on September 19, 2024. 

We demonstrated the utility of chemical ontologies for classifying compounds. Here, we created a organic chemistry ontology and classifying about 1.7 million poly and perfluorinated compounds (PFAS) found in scientific publications and patents (https://pubchem.ncbi.nlm.nih.gov/classification/#hid=134). These indexed publications were used to retrieve PFAS - Toxicity cooccurrences. The statistics of these coocurrences were than used to create a prediction system for PFAS compounds to aid risk management when dealing with these "forever" compounds.

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2024-09-19