International Journal of Medicinal Chemistry / 2013 / Article / Tab 2 / Research Article
The Development of Models Based on Linear and Nonlinear Multivariate Methods to Predict ADME/PK Properties Using Physicochemical Properties of Kinase, Protease Inhibitors, and GPCR Antagonists Table 2 Correlation matrix for descriptors.
Variable G. index S. bonds SAAA YZ shadow HASA-2 P. charge O. atoms R. O. atoms N. atoms R. N. atoms A. bonds G. index 1 S. bonds 0.26798 1 SAAA 0.41483 −0.0544 1 YZ shadow 0.50115 0.31235 0.21755 1 HASA-2 0.13998 −0.05302 −0.02074 0.18598 1 P. charge −0.03232 −0.1199 0.03092 0.03528 0.30933 1 O. atoms 0.11838 0.09889 0.04789 −0.00181 0.12292 0.13269 1 R. O. atoms −0.02622 −0.31383 0.05442 −0.14418 0.11698 0.16337 0.58024 1 N. atoms 0.21829 0.27275 0.02458 0.21158 0.50736 −0.10747 −0.11228 −0.29378 1 R. N. atoms 0.02254 −0.32032 0.05143 −0.01294 0.43585 −-0.10581 −0.24878 −0.1698 0.52116 1 A. bonds 0.2846 0.2069 0.00138 0.33825 0.14602 0.159 0.01585 −0.1204 −0.02972 −0.24046 1