The Open Reaction Database (ORD) provides an open-access schema and infrastructure for structuring and sharing organic reaction data, including a centralized data repository. This platform supports various experimental methods, from benchtop reactions to automated high-throughput experiments and flow chemistry. By offering a consistent data representation, ORD enables advanced applications in computer-aided synthesis planning, reaction prediction, and other predictive chemistry tasks.
Funding
Funding not disclosed
Founders
Product
Problem
Organic reaction data is often unstructured and scattered across various sources, hindering the development of computational tools for synthesis planning and reaction prediction. The lack of a consistent data representation makes it difficult to leverage experimental results for machine learning and other predictive chemistry tasks.
Solution
The Open Reaction Database (ORD) provides an open-access schema and infrastructure for structuring, sharing, and archiving organic reaction data. The ORD schema supports a wide range of experimental methods, including benchtop reactions, automated high-throughput experiments, and flow chemistry. By offering a consistent data representation and a centralized repository, the ORD enables advanced applications in computer-aided synthesis planning, reaction prediction, and other predictive chemistry tasks. The platform facilitates the incorporation of reaction data into reaction informatics infrastructure and promotes the adoption of FAIR (Findable, Accessible, Interoperable, and Reusable) data principles within the chemistry community.
Target Audience
The primary users are academic and industrial chemists, computational chemists, and data scientists involved in organic synthesis, reaction prediction, and computer-aided synthesis planning.
Features
- Open-access schema for structuring organic reaction data
- Centralized data repository for storing and sharing reaction information
- Support for various experimental methods, including benchtop, high-throughput, and flow chemistry
- User interfaces and support for contributors via GitHub and email
- Tools for incorporating the ORD schema into reaction informatics infrastructure and electronic lab notebooks (ELNs)
- Adoption of FAIR data principles for data sharing across academia, government, and industry