Table 7.

QSAR models of the newly designed substituted indole derivatives (3a–j) with phenylsulfonylhydrazone fragment (–C=N–NH–SO₂–Ar) and 3,3′-[(1E,2E)-hydrazine-1,2- diylidenedi(E)methylylidene]bis(5-chloro-1H-indole) (4). R—correlation coefficient; RMSE—root mean squared error; Q—correlation coefficient cross-validated in 10 groups.

Substituents in Ar	Model	LE MCF-7	SI MCF-7	LE MDA-MB-231	SI MDA-MB-231
	Coefficients
	b 0	0.222	10.362	0.202	2.037
phenyl	b 1	0.037	6.401	0.037	1.464
4-methylphenyl	b 2	0.002	6.901	−0.002	−0.216
4-methoxyphenyl	b 3	−0.008	−6.274	−0.006	−0.359
2,4,6-trimethylphenyl	b 4	−0.016	−3.465	−0.014	0.244
2,4-dimethylphenyl	b 5	−0.019	−5.378	−0.007	−1.320
3,4-dimethylphenyl	b 6	−0.017	−3.573	−0.013	−0.325
5-chlorophenyl	b 7	−0.028	−4.151	−0.042	−2.180
Substituents in R
1-acetyl	b 8	−0.004	18.918	−0.025	0.478
5-methoxy	b 9	0.020	−10.180	0.006	−1.587
5-bromo	b 10	−0.009	−8.353	0.003	−0.748
5-chloro	b 11	0.001	−3.702	0.015	0.957
	R	0.904	0.919	0.938	0.666
	RMSE	0.012	4.052	0.009	1.247
	Q	0.666	0.678	0.655	−0.272