Research Article
QSAR Study of (5-Nitroheteroaryl-1,3,4-Thiadiazole-2-yl) Piperazinyl Derivatives to Predict New Similar Compounds as Antileishmanial Agents
Table 6
Proposed compounds, values of calculated descriptors, and predicted values of pIC50 using MLR and MNLR model.
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| |
| | | Ar | Het | | | | | | |
| | X1 | | NHCH2C6H4OCH3 | -4.055 | -1.801 | 4.16 | 4.16 | 3.09 | 0.272 |
| | X2 | | NHCH2C6H4OCH3 | -4.598 | -1.456 | 4.622 | 4.85 | 4.05 | 0.398 |
| | X3 | | NHCH2CHCH2 | -4.931 | -2.025 | 4.831 | 4.67 | 4.04 | 0.301 |
| | X4 | | Het1 | -5.232 | -2.775 | 4.67 | 4.25 | 3.88 | 0.388 |
| | X5 | | Het1 | -5.732 | -2.377 | 2.307 | 4.45 | 4.53 | 0.069 |
| | X6 | | Het1 | -5.555 | -2.224 | 2.687 | 4.52 | 4.58 | 0.071 |
| | X7 | | Het2 | -5.556 | -2.278 | 2.673 | 4.48 | 4.547 | 0.05 |
| | X8 | | Het3 | -6.312 | -2.155 | 4.340 | 5.40 | 5.171 | 0.312 |
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