The Open Reaction Database (ORD) is an open-access schema and infrastructure for structuring and sharing organic reaction data, including a centralized data repository. The ORD schema supports conventional and emerging technologies, from benchtop reactions to automated high-throughput experiments and flow chemistry. Our vision is that a consistent data representation and infrastructure to support data sharing will enable downstream applications that will greatly improve the state of the art with respect to computer-aided synthesis planning, reaction prediction, and other predictive chemistry tasks.
Since our initial meeting in October 2019, the database has grown to include more than 2M reactions (including a large dataset of reactions extracted from USPTO sources) and received contributions from academic and industrial users, both from published and unpublished work. Some of our current efforts include:
Please reach out to email@example.com for help preparing a contribution or to discuss using the ORD in your company or lab.
We gratefully acknowledge support from: