Classical and Fragment-Based Hologram Structure-Activity Relationships for a Series of Analgesic Cyclic Imides
A. D. Andricopulo,
D. M. Borchhardt,
M. S. Castilho.
Cyclic imides have been widely employed in drug design research due to their multiple pharmacological and biological properties. In the present study, two-dimensional quantitative structure-activity relationship (2D QSAR) studies were conducted on a series of potent analgesic cyclic imides using both classical and hologram QSAR (HQSAR) methods, yielding significant statistical models (classical QSAR, q2 = 0.80; HQSAR, q2 = 0.84). The models were then used to evaluate an external data test, and the predicted values were in good agreement with the experimental results, indicating their consistency for untested compounds.
Keywords: Imides, Analgesics, Drug design, 2D QSAR, HQSAR
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