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 |