Table 3.

Results of seven cross-validation experiments for Model 2

DNA	Polyamide	ΔGexpt	ΔGpred	Residual	Ref.
TGTTA	IPPPPP	−11.42	−10.58	−0.84	6
TGACA	IPPPPP	−9.02	−8.37	−0.65	6
TGGTT	IIPPPP	−10.80	−10.04	−0.76	12 (1)
TGTTA	IIPPPP	−8.41	−8.49	0.08	12 (1)
GGGTA	IIPPPP	−8.10	−7.84	−0.26	12 (1)
AACCA	PPPIIP	−9.72	−10.14	0.42	12 (2)
TAACA	PPPIIP	−6.75	−9.07	2.32	12 (2)
TACCC	PPPIIP	−6.75	−8.35	1.60	12 (2)
TGTTT	IPPPPP	−11.23	−11.08	−0.15	9
TGTTA	IPPPPP	−11.04	−11.08	0.04	9
TGTAA	IPPPPP	−10.61	−11.08	0.47	9
TGTAT	IPPPPP	−10.36	−11.08	0.72	9
TGATT	IPPPPP	−10.25	−11.08	0.83	9
TGATA	IPPPPP	−9.99	−11.08	1.09	9
TGAAA	IPPPPP	−9.91	−11.08	1.17	9
TGAAT	IPPPPP	−9.79	−11.08	1.29	9
AGGGA	IIIPPP	−8.99	−9.25	0.26	7 (1)
TGGGT	IIIPPP	−9.29	−9.25	−0.04	7 (1)
TGGGC	IIIPPP	−8.25	−6.74	−1.51	7 (2)
AGGCA	IIIPPP	−8.01	−5.87	−2.14	7 (1)
AGGGAA	IIIPPPPP	−11.56	−12.92	1.36	7 (2)
TGGGTC	IIIPPPPP	−9.65	−10.49	0.84	7 (2)
TGGGCT	IIIPPPPP	−8.41	−11.24	2.83	7 (2)
AGGCAA	IIIPPPPP	−8.72	−10.34	1.62	7 (2)
TGTTA	IPPPPP	−10.64	−10.72	0.08	11
AGACT	IPPPPP	−7.95	−8.72	0.77	11
AGACA	IPPPPP	−8.66	−8.72	0.06	11

We did not perform cross-validation experiments corresponding to refs. 10 and 5 to avoid removing data points corresponding to mismatched ring base recognition infrequently represented (such as the imidazole–adenine pairing). In refs. 12 and 7, two separate subsets of the data were removed (indicated by 1 and 2) for each cross-validation experiment. I and P defined in Table 1.