Skip to main content
. 2014 Mar 6;57(6):2704–2713. doi: 10.1021/jm500022q

Table 5. Retrospective Test Results for Series of Different Lengths.

series length test set size predictions number in top five % found predicteda % found overallb
2 41789 35251 (84%) 2124 6 5
3 37313 19982 (54%) 3926 20 11
4 29807 7942 (27%) 3180 40 11
5 20792 1682 (8%) 891 53 4
6 14655 52 (0%) 25 48 0
a

The percentage of series where predictions were made, where the reference R group appeared in the top five predictions.

b

The percentage of all test series, where the reference R group appeared in the top five predictions.