QSAR in Development of Antidepressants
QSAR in Development of Antidepressants
QSAR in Development of Antidepressants
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• r 2 =.87<br />
<strong>QSAR</strong> results<br />
• validated with test set<br />
– predict<strong>in</strong>g 5 other compounds based on known<br />
activity<br />
Predicted Activity vs. Activity<br />
Activity<br />
Predicted<br />
activity<br />
Residual<br />
10<br />
8<br />
4.84<br />
4.341<br />
0.499<br />
Activity<br />
6<br />
4<br />
5.771<br />
8.301<br />
5.003<br />
8.887<br />
0.738<br />
-0.586<br />
2<br />
0<br />
6.602<br />
7.942<br />
-1.339<br />
0 2 4 6 8 10<br />
Predicted activity<br />
5<br />
4.918<br />
0.0082
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