Open Reaction Database
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extracted from USPTO sources) and received contributions from academic and industrial users, both from published and unpublished work.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:
- Improving user interfaces and providing support to contributors on GitHub and via email.
- Working with companies to incorporate the ORD schema into their reaction informatics infrastructure, including the development of "translators" between the ORD schema and electronic lab notebooks (ELNs).
- Engaging with journals and other stakeholders to drive adoption of the ORD schema as a FAIR data structure for sharing reaction data across academia, government, and industry.
Ben Deadman is our Reaction Data Evangelist and ORD Program Manager. Please reach out to him at help@open‑reaction‑database.org for help preparing a contribution or to discuss using the ORD in your company or lab.