A QSAR study for the cytotoxic activities of taxoids against macrophage (MΦ)-like cells

A series of taxoids (modified at the C-3′N position) have been used for the development of two QSAR models for their cytotoxic activities against macrophage (MΦ)-like cells J774.1 and J7.DEF3. QSAR results suggest that hydrophobic and steric features influence the inhibitory activity in a linear model. The C log P values were not great enough to establish the upper limit of the inhibition. Internal [cross-validation, quality factor (Q), Fischer statistics (F), Y-randomization, and lack of overfitting tests] and external validation tests have validated both the QSAR models.

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