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. 2023 Dec 3;10(1):e23115. doi: 10.1016/j.heliyon.2023.e23115

Table 2.

Developed QSAR models and their respective internal validation parameters.

S/NO Model expression R2 R2adj, Q2cv LOF
Model 1 pIC50 = −0.001361743* VR1_Dzp +1.309124703 * minssCH2 +
0.119928807 * gmax +
2.682043672		 0.8650 0.8360 0.7691 0.0379
Model 2 pIC50 = −0.025809774 * VR2_Dzp
+1.350948170 * minssCH2+
0.119189664 * gmax +
2.644238403		 0.8607 0.8309 0.7590 0.0391
Model 3 pIC50 = − 0.000751796 * VR1_Dzv
+1.223274210 * minssCH2 +
0.113665119 * gmax +
2.697056488		 0.8606 0.8308 0.7503 0.0391
Model 4 pIC50 = - 0.000210160 * VR1_Dzi
+1.196251030 * minssCH2 +
0.110160129 * gmax +
2.665835715		 0.8560 0.8252 0.4226 0.0404

Key: R2: Coefficient of determination R2adj: Adjusted Coefficient of determination Q2CV: Cross validation coefficient LOF: log of fit.