Quantitative Structure Activity Relationship Studies of Topoisomerase I Inhibitors as Potent Antibreast Cancer Agents

Table 5

Actual and predicted activity data of derivatives obtained from multivariate analysis for training set of breast cell line.

S. No.	Actual activity	Predicted value
		MLR	PLS	FFNN
1_3	−0.51	−0.414	−0.416	−0.472
1_4	0.6	0.180	0.166	0.243
1_35	−1.489	−1.522	−1.515	−1.561
1_38	−1.489	−1.335	−1.301	−1.344
1_41	−1.57	−1.334	−1.301	−1.344
1_42	−1.17	−1.276	−1.241	−1.294
1_49	−1.92	−1.708	−1.727	−1.726
1_56	−0.459	−0.380	−0.355	−0.293
1_62	0.698	0.103	0.097	0.155
1_63	−0.19	0.102	0.120	0.275
1_65	0.69	0.859	0.863	0.835
1_67	0.91	0.977	0.982	0.883
1_68	1.091	0.859	0.863	0.835
1_70	0.79	0.918	0.923	0.860
1_86	−1.139	−1.131	−1.166	−1.351
1_90	−1.64	−1.867	−1.842	−1.693
1_94	−1.699	−1.600	−1.618	−1.602
1_99	−0.989	−1.541	−1.535	−1.491
1_100	−1.579	−1.354	−1.345	−1.350
1_105	−1.25	−1.155	−1.159	−1.167
1_106	−0.23	0.103	0.071	0.169
1_109	−0.78	−0.926	−0.926	−0.934
1_111	−1.269	−1.111	−1.138	−1.232
1_112	−1.198	−1.235	−1.287	−1.428