Three-dimensional quantitative structure activity relationship (QSAR) of cytotoxic active 3,5-diaryl-4,5-dihydropyrazole analogs: a comparative molecular field analysis (CoMFA) revisited study

Table 6 Data from PLS cross-validated analysis of test set

Compounds	PIC₅₀	COMFA	PRE_PIC₅₀	Residual
F1	−1.2600	134.0000	−1.384	−0.124
F2	−1.2100	134.0000	−1.480	−0.27
F3	−1.2700	138.0000	−1.514	−0.244
F4	−1.2800	144.0000	−1.342	−0.062
F5	−1.2000	146.0000	−0.814	0.386
F6	−1.3800	134.0000	−1.440	−0.06
F7	−1.4600	132.0000	−1.602	−0.142
F8	−1.4100	156.0000	−0.918	0.492
F9	−1.2000	136.0000	−0.811	0.389
F10	−1.3000	136.0000	−0.906	0.494
F11	−1.3100	140.0000	−0.944	0.366
F12	−1.2400	146.0000	−0.780	0.46
F13	−1.1800	148.0000	−0.247	0.933
F14	−1.3300	136.0000	−0.851	0.479
F15	−1.3000	134.0000	−1.028	0.272
F16	−1.2400	158.0000	−0.346	0.894

ISSN: 2661-801X