General Approach to Estimate Error Bars for Quantitative Structure–Activity Relationship Predictions of Molecular Activity

  • 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
  • Kyle P. Glover
    Defense Threat Reduction Agency, Aberdeen Proving Ground, Maryland 21010, United States
  • Michael G. Feasel
    U.S. Army—Edgewood Chemical Biological Center, Operational Toxicology, Aberdeen Proving Ground, Maryland 21010, United States
  • 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

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