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Thomas Luechtefeld

OpenTox Virtual Conference 2023

Building Large Scale Chemical Property Data With BioBricks-ai

Getting large scale data for chemical modeling can be a tedious, time consuming task. is an open source tool that makes it easy to access and distribute data assets.

Building and maintaining data pipelines is expensive, fragile, and also essential for any developers in the cheminformatics space. In this talk we review, a package manager for data dependencies, and provide a case study for the use of BioBricks in creating a large repository of harmonized chemical property data. This work is part of the Ontox Project which seeks to provide a functional and sustainable solution for advancing human risk assessment of chemicals without the use of animals in line with the principles of 21st century toxicity testing and next-generation risk assessment.