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Table 2 General limit required for the QSAR model assessment

From: Quantitative structure-activity relationship, molecular docking, drug-likeness, and pharmacokinetic studies of some non-small cell lung cancer therapeutic agents

Parameter Details Accepted value Selected model
R2trng Squared correlation coefficient of training set ≥ 0.6 0.8764
Qcv2 Cross-validation coefficient ≥ 0.5 0.7655
R2Q2 Difference between R2 and Q2 ≤ 0.3 0.1109
N(test set) Minimum number of external test set ≥ 5 5
R2ext. Squared correlation coefficient of test set ≥ 0.5 0.7024