Benjamin Deadman | Reaction Data Evangelist and Program Manager
Open Reaction Database

Benjamin Deadman, Reaction Data Evangelist and Program Manager, Open Reaction Database

Dr Benjamin J Deadman is the Program Manager and Reaction Data Evangelist for the Open Reaction Database (ORD). He works closely with the synthetic and digital chemistry communities to support and encourage the sharing of organic reaction data in a structured format that enables downstream applications in computer-aided synthesis planning, reaction prediction, and other predictive chemistry tasks. In addition to his role with the ORD, Ben also provides independent consultation and advanced training services in modern synthetic chemistry methods such as High-Throughput Experimentation (HTE), flow chemistry, in-situ reaction analysis and kinetics, and Design of Experiments (DOE). Ben began his chemistry career in New Zealand with an MSc in Analytical Chemistry from the University of Waikato. In 2009 he moved to the University of Cambridge (UK) as a Commonwealth Scholar to pursue research in flow chemistry under the supervision of Prof. Steven Ley. After the completion of his PhD in 2013, he then moved to University College Cork (Ireland) to work with Prof. Anita Maguire as a Postdoctoral Research Associate of the Synthesis and Solid-State Pharmaceutical Centre (SSPC). 2015 saw Ben relocate to Imperial College London (UK) to do postdoctoral research with Prof. King Kuok (Mimi) Hii and Prof. Klaus Hellgardt on the application of electrochemically generated oxidants in organic synthesis. Then in 2018 he established the Centre for Rapid Online Analysis of Reactions (ROAR), a shared state-of-the-art facility providing the UK chemical R&D community with the tools and protocols needed to perform data-rich experimentation in chemistry. As the founding Facility Manager of ROAR, Ben used his experience in reaction automation and reaction analysis to support the facility users throughout their adventures in data-rich chemical synthesis experimentation.


Day 2 (27th June) @ 11:15

Making reaction data machine readable with the Open Reaction Database

Machine learning (ML) and Artificial Intelligence (AI) have great potential to help us truly understand chemical processes. However, development of these algorithms is currently hampered by the limited availability of structured reaction data. 

The Open Reaction Database (ORD, is an initiative to improve the state of predictive chemistry by providing a structured, open-access schema and repository for sharing reaction data. The schema has been developed by a consortium of academic and industrial chemists to capture the data that is needed for reaction prediction, through interfaces and terminology designed for the synthesis chemistry community. The extensible schema has been designed to accommodate data from both conventional bench chemistry methods, and also emerging technologies such as high-throughput experimentation, flow chemistry, photochemistry and electrochemistry.

This talk will provide an introduction to the ORD Schema, an exploratory snapshot of the ORD database, and present some opportunities for data generators, data consumers, and technology vendors to get involved.

last published: 17/Apr/24 08:15 GMT

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