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. 2014 Nov 14;15(11):20927–20947. doi: 10.3390/ijms151120927

Table 2.

Summary of CoMFA and CoMSIA results.

Components CoMFA CoMSIA (SA)
q2 (r2cv) 0.636 0.843
r2ncv 0.988 0.989
SEE 0.094 0.096
F value 309.026 174.304
r2pred 0.658 0.601
No. of compounds 50 50
No. of optimal components 10 17
Contribution
Steric 0.671 0.677
Electrostatic 0.329
Hydrophobic
H-bond donor
H-bond acceptor 0.323