TABLE 8.

Comparison of predicted and experimentally derived IC₅₀ values of analogs for test set compounds

	CoMFA Log IC50 Values	CoMSIA Log IC50 Values	Hα4β2 nAChRs Log IC50 Valuesa
		M
COB-1	−5.03	−5.03	−5.14
COB-2	−5.02	−5.02	−5.15
APB-8	−5.01	−5.00	−5.10
IB-2	−4.99	−5.00	−4.98
KAB-23	−5.04	−5.02	−5.10
DDR-3	−4.55	−4.72	−4.78
APB-21	−4.97	−4.90	−4.90
KAB-24	−5.00	−5.08	−5.10
DDR-2	−5.02	−4.93	−4.98
JHB-9	−4.90	−4.98	−4.99
KAB-22	−5.04	−5.01	−5.03

^a Experimentally derived data are from Tables 2–5.