Dissecting Machine-Learning Prediction of Molecular Activity: Is an Applicability Domain Needed for Quantitative Structure–Activity Relationship Models Based on Deep Neural Networks?
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Nov 09, 2018
- Source ID
- 10.1021/acs.jcim.8b00348
Entities
People
- Anders Wallqvist
- Hao Wang
- Kyle P. Glover
- Michael G Feasel
- Ruifeng Liu
Organizations
- Defense Threat Reduction Agency
- Edgewood Chemical Biological Center
- United States Army
- United States Army Medical Research and Development Command
- United States Department of Defense