Building Chemical Property Models for Energetic Materials from Small Datasets Using a Transfer Learning Approach
Author:
Affiliation:
1. U.S. Army Combat Capabilities Development Command (DEVCOM) Army Research Laboratory, Aberdeen Proving Ground, Maryland 21005, United States
2. Department of Chemical Engineering, MIT, Cambridge, Massachusetts 02139, United States
Funder
Defense Advanced Research Projects Agency
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.2c00841
Reference87 articles.
1. Highly accurate protein structure prediction with AlphaFold
2. Machine learning regressors for solar radiation estimation from satellite data
3. Neural Message Passing for NMR Chemical Shift Prediction
4. Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation
5. Deep Learning in Protein Structural Modeling and Design
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