Computer-assisted multistep chemoenzymatic retrosynthesis using a chemical synthesis planner
Abstract
Given a target, our approach identifies a reaction network with sequences of chemically viable reaction steps starting from commercial compounds (in green). Then, it identifies steps within the reaction network that are candidates for biocatalysis.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Jan 01, 2023
- Source ID
- 10.1039/d3sc01355c
Entities
People
- Karthik Sankaranarayanan
- Klavs F. Jensen
Organizations
- Defense Advanced Research Projects Agency
- Massachusetts Institute of Technology