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. 2021 Aug 7;26(16):4795. doi: 10.3390/molecules26164795
CADD Computer-Aided Drug Designing
SMILES Simplified Molecular-Input Line-Entry System
GA Genetic Algorithm
MLR Multiple Linear Regression
QSAR Quantitative Structure–Activity Relationship
OLS Ordinary Least Square
QSARINS QSAR Insubria
OECD Organization for Economic Co-operation and Development
OFS Objective Feature Selection
SFS Subjective Feature Selection
HER2 Human Epidermal growth factor Receptor 2
TNBC Triple Negative Breast Cancer
ER Estrogen Receptor
PR Progesterone Receptor
BCCL Breast Cancer Cell Line
LOF Lack of Fit (Friedmann Parameter)
RMSE Root Mean Square Error
MAE Mean Absolute Error
RSS Residual Sum of Squares
CCC Concordance Correlation Coefficient
PRESS Predictive Residual Sum of Squares
LOO Leave One Out
LMO Leave Many Out