《Table 2.Statistical Parameters of CoMFA and CoMSIA Models》

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《3D-QSAR and Surflex Docking Studies of a Series of Alkaline Phosphatase Inhibitors》

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The q2 is LOO cross-validated correlated，r2 is non-cross-validated coefficient，N is the optimal number of components in the non-cross-validated coefficient analysis，F is variance ratio，and SEE is the Standard Error of Estimate

The optimal CoMFA model was constructed with steric and electrostatic fields，and the optimal CoMSIA model were constructed with electrostatic，hydrophobic，and hydrogen bond donor fields.The optimal QSAR model was selected on the basis of higher cross-validated correlation coefficient（q2）and higher regression coefficient（r2）.The statistical parameters of Co MFA and Co MSIA models are presented in Table 2.