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. 2022 Aug 8;8(8):e10101. doi: 10.1016/j.heliyon.2022.e10101

Table 10.

Statistical validation results of the best 3D-QSAR models.

3D-QSAR Models Q2 R2 SEE N R2test
CoMFA_E + S 0.539 0.903 0.0615 5 0.5386
CoMSIA_E + A 0.547 0.880 0.0673 4 0.6015
CoMSIA_S + E + A 0.512 0.874 0.0691 4 0.6276
CoMSIA_E + A + D 0.526 0.936 0.0502 5 0.6041
CoMSIA_E + H + D + A 0.534 0.963 0.0395 7 0.6890