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- Shinn, Paul [remove] 6
- Bioorganic chemistry -- Periodicals 2
- Pharmaceutical chemistry -- Periodicals 2
- 5-CV 5-fold cross validation -- ACN Acetonitrile -- ADME Absorption, Distribution, Metabolism, Excretion -- AI Artificial Intelligence -- ANN Artificial Neural Network -- AUC Area Under the Curve -- BACC Balanced Accuracy -- DMSO Dimethyl sulfoxide -- DNN Deep Neural Network -- GBM Generalized Boosted Models -- GCNN Graph Convolutional Neural Network -- GI Gastrointestinal -- IV Intravenous -- MDCK Madin-Darby Canine Kidney cells -- ML Machine Learning -- MSR Minimum Significant Ratio -- MW Molecular Weight -- NCATS National Center for Advancing Translational Sciences -- PAMPA Parallel Artificial Membrane Permeability Assay -- PEOE Partial Equalization of Orbital Electronegativities -- PK Pharmacokinetic -- PLS Partial Least Squares -- PO Per Os (orally administered) -- QSAR Quantitative Structure Activity Relationship -- RF Random Forest -- ROC Receiver Operating Characteristic -- S.D. Standard Deviation -- TPSA Total Polar Surface Area -- UPLC/MS Ultra-high Performance Liquid Chromatography Mass Spectrometry -- UV Ultraviolet -- XGBoost eXtreme Gradient Boosting 1
- 572 1
- 572.078 1
- 615.1 1
- 615.19 1
- 616.075 1
- 616.9 1
- Biochemistry 1