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. 2022 May 9;23(9):5258. doi: 10.3390/ijms23095258
EC Effective Concentration
GC Group Contribution
DKL Deep Kernel Learning
MSE Mean Squared Error
SVM Support Vector Machine
AARD Average Absolute Relative Deviation
ASFC Atom Surface Fragment Contribution
OECD Organisation for Economic Co-operation and Development
RMSE Root Mean Squared Error
QSAR Quantitative Structure–Activity Relationship
SMILES Simplified Molecular-Input Line Entry System