Research Article
Sulfonamide Based β-Carbonic Anhydrase Inhibitors: 2D QSAR Study
Table 6
Observed and predicted biological activity of
-CAIs by 2D QSAR model-2.
| Molecule no. | Biological activity in | Predicted activity in for 2D QSAR model-2 | Molecule no. | Biological activity in | Predicted activity in for 2D QSAR model-2 |
| a1 | −0.344717 | −0.03583 | P10 | 1.266859 | 1.259637 | a2 | −0.190249 | −0.882354 | P11 | 1.120772 | 1.091515 | a4 | −0.082413 | −0.080626 | P12 | 1.272709 | 1.060481 | a5 | 0.464319 | −0.106191 | P13 | 1.272709 | 1.026872 | a6 | −0.30816 | −0.044932 | P14 | 0.788528 | 0.89279 | a7 | −0.263988 | −0.504471 | P15 | 2.308512 | 2.124939 | a8 | 0.11921 | −0.093422 | u1 | −0.190249 | −0.03583 | a9 | 0.13413 | −0.128722 | u2 | 0.632479 | 0.403403 | a10 | 0.1422 | 0.38934 | u3 | 0.67832 | 0.262013 | a11 | 0.153019 | 0.143271 | u4 | −0.439697 | −0.598791 | a14 | −0.19505 | −0.786396 | u5 | 1.136967 | 1.375718 | a15 | −0.040293 | 0.058489 | u6 | 1.153646 | 1.207608 | a16 | −0.532544 | 0.079877 | u7 | 1.162552 | 1.346787 | a17 | −0.068149 | −0.136086 | u8 | 1.174377 | 1.371611 | a18 | −0.35595 | −0.038223 | u9 | 0.95411 | 1.21467 | a19 | 0.046485 | −0.117271 | u10 | 1.275984 | 1.232844 | a20 | 0.085669 | 0.138466 | u11 | 2.121827 | 1.420216 | a23 | 0.174574 | −0.04454 | u12 | 0.525091 | 0.153663 | a25 | 0.112519 | −0.111599 | u13 | 1.456193 | 1.536107 | a26 | −0.284564 | 0.416801 | u14 | −0.192447 | −0.537819 | a27 | 0.150512 | 0.064997 | u15 | −0.054696 | 0.449772 | a41 | −0.240392 | −0.082426 | u16 | 1.116353 | 1.301899 | p1 | 0.750809 | 1.070581 | u17 | 0.81894 | 1.295849 | p2 | 1.106582 | 1.107905 | u18 | 1.326855 | 1.338187 | p3 | 1.258037 | 1.366532 | u19 | 0.900615 | 1.271646 | p4 | 1.258037 | 1.283997 | u20 | 0.752133 | 0.486782 | p5 | 1.104543 | 1.327902 | u22 | 1.116085 | 0.527244 | p6 | 1.255928 | 1.267606 | u23 | 1.316884 | 1.396856 | P7 | 1.255928 | 1.21467 | u24 | 1.006908 | 1.274088 | P8 | 1.115113 | 1.267606 | u27 | 1.65065 | 1.181115 | p9 | 1.266859 | 1.283997 | u28 | 1.151463 | 1.143876 |
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