General Approach to Estimate Error Bars for Quantitative Structure–Activity Relationship Predictions of Molecular Activity
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- Ruifeng Liu
- Department of Defense Biotechnology High Performance Computing Software Applications Institute, Telemedicine and Advanced Technology Research Center, U.S. Army Medical Research and Materiel Command, Fort Detrick, Maryland 21702, United States
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- Kyle P. Glover
- Defense Threat Reduction Agency, Aberdeen Proving Ground, Maryland 21010, United States
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- Michael G. Feasel
- U.S. Army—Edgewood Chemical Biological Center, Operational Toxicology, Aberdeen Proving Ground, Maryland 21010, United States
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- Anders Wallqvist
- Department of Defense Biotechnology High Performance Computing Software Applications Institute, Telemedicine and Advanced Technology Research Center, U.S. Army Medical Research and Materiel Command, Fort Detrick, Maryland 21702, United States
収録刊行物
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- Journal of Chemical Information and Modeling
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Journal of Chemical Information and Modeling 58 (8), 1561-1575, 2018-06-27
American Chemical Society (ACS)