Combining retrosynthesis and mixed-integer optimization for minimizing the chemical inventory needed to realize a WHO essential medicines list
Abstract
Retrosynthetic pathways suggestions are optimized to minimize the number of unique chemicals required to synthesize multiple products as would be useful for on-demand manufacturing.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Jan 01, 2020
- Source ID
- 10.1039/c9re00348g
Entities
People
- Connor W. Coley
- Hanyu Gao
- Klavs F. Jensen
- Linyan Li
- Thomas J. Struble
- William H. Green
- Yujie Qian
Organizations
- Defense Advanced Research Projects Agency
- Harvard T.H. Chan School of Public Health
- Massachusetts Institute of Technology
- United States Army
- University of Cambridge