High-Throughput Chemistry Based Open Research Database

Experimental data from chemical synthesis are complex, rarely openly available in a computational format, and mostly biased toward positive results, which represent a minority of cases. This situation strongly impacts the development of efficient predictive models in chemistry, drug discovery, energy storage or generation, and new materials development. To improve data quality and availability for the chemist community, the Swiss Cat+ West Hub and SDSC, with support from the SWITCH Foundation, propose to jointly develop HT-CHEMBORD. This project combines a global chemical synthesis robust and open ontology based on high quality FAIR compliant experimental data generated initially in the Swiss Cat+ hubs and then thanks to future collaborations by other high-throughput validated laboratories, an open access database with complete data integrity management and a set of query tools allowing the community of chemists and data scientists to explore the unique dataset offered. Exploratory work on the data validation strategy, with a view to extending it to external data providers, is already planned in the current project.