Computational design of syntheses leading to compound libraries or isotopically labelled targets
Abstract
Network-search routines over large graphs of retrosynthetic scenarios are adapted to multi-target design operating on one common search graph enabling design of syntheses of compound libraries or isotopically labelled targets.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Jan 01, 2019
- Source ID
- 10.1039/c9sc02678a
Entities
People
- Bartosz Andrzej Grzybowski
- Karol Molga
- Piotr Dittwald
Organizations
- Center for Soft and Living Matter
- Defense Advanced Research Projects Agency
- Institute of Organic Chemistry
- Korea Basic Science Institute
- Polish Academy of Sciences