The contributions of the Broadbelt group will focus on identifying bioprivileged molecules using in silico methods. We have developed a computational platform to map chemical space given a variety of different starting molecules and operators that encode typical catalytic reactions. The overall approach relies on a computational framework developed previously in the Broadbelt group for automated generation of reaction networks.
|Effective start/end date||10/1/18 → 12/31/21|
- Iowa State University (401-20-25A//DE-EE0008492)
- Department of Energy (401-20-25A//DE-EE0008492)