Table 1.

Biological activities of training and test set derivatives.

Comp. number	Compound	pED50	Pred.Pred.pED50ED50	Residual
$1$a		1.69	1.67	0.02
$2$a		1.77	1.77	0.00
$3$b		1.69	1.68	0.01
$4$a		1.69	1.67	0.02
$5$a		1.77	1.78	−0.01
$6$b		1.77	1.76	0.01
$7$a		1.84	1.83	0.01
$8$a		1.77	1.77	0.00
$9$b		1.77	1.76	0.01
$10$a		1.69	1.72	0.03
$11$a		1.77	1.73	0.04
$12$b		1.90	1.83	0.07
$13$a		1.77	1.77	0.00
$14$a		1.77	1.77	0.00
$15$b		1.84	1.81	0.03
$16$a		1.84	1.83	0.01
$17$a		1.95	1.95	0.00
$18$a		1.90	1.90	0.00
$19$b		1.84	1.88	−0.04
$20$a		1.90	1.91	−0.01
$21$a		1.69	1.73	−0.04
$22$a		1.90	1.88	0.02
$23$b		1.84	1.82	0.02
$24$a		1.77	1.80	−0.03

^aTraining set.

^bTest set.