Combining retrosynthesis and mixed-integer optimization for minimizing the chemical inventory needed to realize a WHO essential medicines list
The access to essential medicines remains a problem in many low-income countries for logistic and expiration limits, among other factors. Enabling flexible replenishment and easier supply chain management by on demand manufacturing from stored starting materials provides a solution to this challenge...
Main Authors: | Gao, Hanyu, Coley, Connor Wilson, Struble, Thomas J, Li, Linyan, Qian, Yujie, Green Jr, William H, Jensen, Klavs F |
---|---|
Other Authors: | Massachusetts Institute of Technology. Department of Chemical Engineering |
Format: | Article |
Published: |
Royal Society of Chemistry (RSC)
2020
|
Online Access: | https://hdl.handle.net/1721.1/123797 |
Similar Items
-
Similarity based enzymatic retrosynthesis
by: Sankaranarayanan, Karthik, et al.
Published: (2022) -
Computer-Assisted Retrosynthesis Based on Molecular Similarity
by: Coley, Connor Wilson, et al.
Published: (2018) -
Evaluating and clustering retrosynthesis pathways with learned strategy
by: Mo, Yiming, et al.
Published: (2021) -
Artificial Intelligence for Retrosynthesis Prediction
by: Jiang, Yinjie, et al.
Published: (2025) -
Computer-assisted multistep chemoenzymatic retrosynthesis using a chemical synthesis planner
by: Sankaranarayanan, Karthik, et al.
Published: (2024)