Deep learning for chemical reaction prediction
Abstract
We describe a deep learning-based system for predicting chemical reactions and identifying experimentally-observed masses.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Jan 01, 2018
- Source ID
- 10.1039/c7me00107j
Entities
People
- Aaron Mood
- David Fooshee
- David L. Van Vranken
- Eugene Gutman
- Frances Liu
- Gregor Urban
- Mohammadamin Tavakoli
- Nancy Huynh
- Pierre Baldi
Organizations
- Defense Advanced Research Projects Agency
- Department of Computer Science, University of Oxford
- National Science Foundation
- United States Army
- University of California, Irvine
- Yusuf Hamied Department of Chemistry