. Author manuscript; available in PMC: 2010 May 5.

Published in final edited form as: J Med Chem. 2002 Jul 18;45(15):3210–3221. doi: 10.1021/jm010461a

Table 7.

Predicted and Observed Activities [−log(EC₅₀)] for the Tadpole LORR Test Set^a

compd	obs(−logEC₅₀)	pred(−logEC₅₀)
1	4.0	4.1
2	inactive	5.8
3	4.5	4.8
4	4.5	4.3
5	4.3	1.6
6	inactive	3.9
7	4.5 (lethal)	4.1
8	4.5 (slow)	−2.0/11.8

Activities are expressed as −log(EC₅₀), with EC₅₀ in molar units. Accurate predictions are shown in bold. Two different alignments were tried for compound 8. The first one was to put OH at the first position, and the second one was to turn the ring and put NH₂ at the first position.