Model r s F q2LOO Eq.
pIC50  = 7.264 + 2.303(0.489)S3K
            – 1.822(0.590)CIC1 + 2.187(0.601)BELv6
            – 2.456(0.662)GGI3 – 1.069(0.387)C-025
0.827 0.487 20.822 0.596 (7a)
pIC50 = 7.280 + 2.207(0.502)S3K
            – 1.777(0.578)CIC1 + 2.140(0.585)BELp6
            – 2.384(0.645)GGI3 – 1.056(0.388)C-025
0.828 0.486 20.109 0.599 (8a)
pIC50 = 5.838 + 1.606(0.627)S3K
           + 1.937(0.642)SEigm + 1.990(0.553)BELp6
           – 2.596(0.704)GGI3 – 1.063(0.390)C-025
0.826 0.487 20.717 0.587 (9a)
pIC50 = 5.794 + 1.692(0.614)S3K
           + 1.969(0.653)SEigm + 2.018(0.567)BELv6
           – 2.655(0.720)GGI3 – 1.080(0.389)C-025
0.825 0.489 20.592 0.584 (10a)
Table 4: Models derived for the whole data set (n=54) for the MMP-13 inhibition activity in descriptors identified through CP-MLR.