High---Throughput Chemistry Platform (HTCP) for Reaction Screening
Abstract
In this program we will develop a High-Throughput Chemistry Platform (HTCP) capable of interrogating reagents, catalysts, and reaction conditions in order to explore chemical Òreaction spaceÓ. The platform will be used to significantly expand the scope and knowledge around known reactions and to discover unknown transformations through reaction discovery. To accomplish these goals, we have established a multidisciplinary team with expertise in reaction methods, automation, synthesis, and statistical modeling. The High Throughput Chemistry Platform will enable rapid screening and exploration of chemical reaction space. The key features of this platform are as follows: 1)Implementation of automated, primarily commercially-available technologies that are capable of arraying and incubating thousands of chemical reactions. This platform will be foundational for changing the way in which chemists approach reaction screening. 2)Establishment of workflows that: a) Optimize reaction arraying, incubation, and analysis to minimize chemist unit operations. b) Reduce analytical instrumentation and analytical computation time through binning, triage, and statistical analysis. 3)Integration of broadly applicable, automated, and rapid analytical methods for evaluation of reaction outcomes. 4)Application of statistical modeling to analyze, visualize, and optimize reaction screens in real-time for the rational design of downstream reaction screens. 5)Compilation of a database for analytical information storage, allowing for statistics on reaction outcomes to be readily mined, visualized, and interpreted. We envision that this platform will generate an unprecedented level of data for known chemical reactions and will enable rapid discovery and development of new reactions, culminating in greater chemical reaction space coverage. Data generated from this platform will be curated and modeled, providing a dataset of reaction information which encompasses significantly greater reaction space than any single or combined resource currently available.
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Apr 22, 2019
- Source ID
- W911NF1810025
Entities
People
- Aaron Beeler
Organizations
- Army Contracting Command
- Boston University
- Office of the Secretary of Defense