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. 2020 May 27;7:83. doi: 10.3389/fmolb.2020.00083

TABLE 2.

Detailed results of CoMSIA models generated on several field combinations.

q2 NOC r2 SEE F Field contribution
S E A D H
CoMSIA(1) 0.606 9 0.971 0.188 171.762 0.367 0.633
CoMSIA(2) 0.526 10 0.978 0.165 201.412 0.270 0.436 0.294
CoMSIA(3) 0.596 10 0.976 0.172 186.235 0.322 0.537 0.141
CoMSIA(4) 0.663 10 0.982 0.152 238.862 0.187 0.390 0.423
CoMSIA(5) 0.623 10 0.983 0.146 260.018 0.164 0.293 0.185 0.359
CoMSIA(6) 0.637 10 0.986 0.132 316.014 0.164 0.346 0.107 0.383
CoMSIA(7) 0.610 10 0.986 0.131 325.086 0.147 0.265 0.163 0.091 0.334

q2, the cross-validated correlation; NOC, the optimum number of components; r2, the Non-cross-validated correlation; SEE, the standard error of estimation; F, F-test value; S, steric; E, electronic; A, acceptor; D, donor.