Table 3. AF Values of Experimental and Predicted Activities for the Target Compounds 5a–5r^a.

compounds	R	MW	AF	AF′	residual
5a	o-I Ph	494.11	–1.103	–1.148	0.045
5b	2,4-OH Ph	400.20	–2.226	–2.228	0.002
5c	o-OH Ph	384.20	–2.709	–2.725	0.016
5d	p-OCH3 Ph	398.22	–1.976	–1.987	0.011
5e	o-Br Ph	446.12	–2.182	–2.066	–0.116
5f	p-Br Ph	446.12	–2.620	–2.655	0.035
5g	p-F Ph	386.20	–1.963	–1.956	–0.007
5h	o-F Ph	386.20	–2.521	–2.509	–0.012
5i	o-CF3 Ph	436.20	–2.617	–2.615	–0.002
5j	o-NO2 Ph	413.20	–1.787	–1.800	0.013
5k	o-Cl Ph	402.17	–2.650	–2.709	0.059
5l	m-Cl Ph	402.17	–2.503	–2.505	0.002
5m	p-Cl Ph	402.17	–2.648	–2.626	–0.022
5n	p-CH3 Ph	382.23	–2.075	–2.076	–0.001
5o	o-CH3 Ph	382.23	–2.368	–2.358	–0.010
5p	p-CH2OH Ph	398.22	–2.488	–2.496	0.008
5q*	p-C(CH3)3 Ph	424.27	–2.937	–2.930	–0.007
5r*	Ph	368.21	–2.647	–2.622	–0.025

^aAF: experimental value; AF′: predicted value; *: test set compounds.