Skip to main content
. 2018 Apr 17;8(26):14311–14327. doi: 10.1039/c8ra00094h

Statistical results of ten different combinations for CoMSIA models.

Combinations q 2 ONC r 2 SEE F r pred 2 Field contribution (%)
S E H D A
CoMSIA
S + E 0.666 7 0.936 0.203 48.159 0.496 0.606 0.394
S + D 0.663 5 0.936 0.194 73.688 0.409 0.971 0.029
S + E + H 0.671 8 0.983 0.108 156.330 0.638 0.205 0.304 0.492
S + E + D 0.668 9 0.994 0.092 87.329 0.576 0.832 0.150 0.018
S + E + A 0.685 8 0.956 0.172 59.929 0.507 0.544 0.364 0.092
S + D + A 0.667 4 0.936 0.192 94.518 0.531 0.834 0.046 0.120
S + E + H + D 0.659 8 0.985 0.101 178.371 0.658 0.193 0.290 0.488 0.029
S + E + H + A 0.646 8 0.985 0.102 175.012 0.643 0.202 0.296 0.460 0.042
S + E + D + A 0.700 8 0.955 0.175 58.090 0.531 0.536 0.358 0.013 0.092
S + E + H + D + A 0.669 8 0.985 0.100 181.447 0.869 0.192 0.284 0.456 0.029 0.039
Constraints >0.5 <10 >0.9 ≪1 >100 >0.5