TABLE 2

Comparisons of the prediction fold-error by SA, ROE, and the new methods for Wyeth compounds (test data, n = 26)

Compound
Species
bSA
aSA
arat-dog
arat-monkey
AUCpredicted/AUCobserved by Method
SA
ROE
Rat
Dog
Monkey
Rat-Dog
Rat-Monkey
i.v.
1 m,r,d 0.681 3.058 3.152 0.573 0.573 0.622 0.843 0.795
2 m,r, k 0.683 0.425 0.425 1.470 1.470 1.800 1.821 1.882
3 m,r, d 0.710 0.490 0.562 0.825 2.162 0.871 1.406 1.154
4 m,r, d 0.758 0.603 0.805 1.032 2.677 1.124 2.097 1.492
5 m,r, d 0.759 0.818 1.034 1.172 2.730 1.266 2.237 1.798
6 m,r, d 0.931 1.573 1.432 0.323 0.849 1.769 0.659 1.352
p.o.
7 m,r, d 0.482 0.124 0.088 1.352 1.352 1.824 5.333 3.020
8 m,r, d 0.494 0.438 0.212 2.032 2.032 1.716 5.227 2.882
9 m,r, d 0.594 1.072 1.131 13.475 13.475 9.456 18.397 13.909
10 m,r, d 0.656 0.138 0.168 2.125 2.125 1.234 2.824 1.876
11 m,r, d 0.704 3.238 1.319 0.412 1.190 1.960 0.820 1.587
12 m,r, k 0.708 2.726 3.098 0.866 0.995 1.087 1.584 1.413
13 m,r, d 0.712 1.945 2.326 5.857 15.360 5.921 10.158 8.146
14 m,r, k 0.737 2.790 2.815 0.144 0.178 0.267 0.240 0.255
15 m,r, d 0.744 9.748 10.726 4.330 11.573 7.154 9.255 9.054
16 m,r,d,k 0.759 1.461 1.358 1.580 0.007 0.013 0.018 0.019 0.011 0.019 0.015
17 m,r,d,k 0.759 0.346 0.395 0.472 1.799 4.728 1.819 2.335 0.967 2.238 1.257
18 m,r, d 0.769 1.306 3.468 0.957 2.695 1.074 0.917 1.115
19 m,r, d 0.802 0.535 0.424 0.566 1.525 2.151 0.906 1.717
20 m,r, d 0.833 2.007 1.967 1.389 3.709 3.802 2.437 3.550
21 m,r, k 0.855 0.309 0.338 0.622 0.708 1.376 1.210 1.401
22 m,r, d 0.959 2.596 9.654 0.051 0.234 0.161 0.103 0.152
23 m,r, d 1.005 1.665 1.579 2.615 11.317 32.777 10.132 23.466
24 m,r, k 1.081 0.652 0.587 0.142 0.237 1.816 0.221 0.760
25 m,r,d,k 1.326 0.532 0.383 0.705 0.047 0.098 2.821 0.509 0.158 1.635 0.790
26
m,r,d,k
1.589
0.387
0.509
0.283
0.010
0.018
2.070
0.063
0.407
0.616
0.977

  • bSA, exponent from SA with three species; aSA, arat-dog, and arat-monkey, coefficients from SA with three species, rat and dog, and rat and monkey, respectively; m, mouse; r, rat; d, dog; k, monkey.