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. 2006 Nov 14;1(7):237–241. doi: 10.6026/97320630001237

Table 1. Statistical Results.

Program No. Peptides No. Blocked Peptides No. Unblocked Peptides No. Cyclic Peptides Total Blocked Unblocked Cyclic

r2 RMSE r2 RMSE r2 RMSE r2 RMSE
XLogP 335 140 157 38 0.428 2.253 0.665 1.009 0.158 3.043 0.665 1.648
LogKow 339 141 158 40 0.277 2.315 0.389 1.709 0.063 2.781 0.970 2.141
ACDLogP 336 140 156 40 0.232 2.663 0.587 1.278 0.166 3.443 0.462 2.734
AlogP 335 138 157 40 0.822 1.211 0.382 0.673 0.394 0.897 0.946 0.457
IALogP 339 141 157 41 0.422 1.772 0.497 1.209 0.409 0.869 0.399 4.272
MLogP 338 140 158 41 0.090 2.351 0.060 1.402 0.170 2.272 0.661 4.411
QikProp 327 134 154 39 0.502 1.665 0.384 1.285 0.560 1.081 0.535 3.643
PLogP 44 17 27 0.482 1.267 0.800 1.040 0.009 1.391