Three-Dimensional Quantitative Structure-Activity Relationship(QSAR) has been investigated over 67 flavonoids to correlate and predict GI50 values.
The partial least-squares(PLS) model was performed to calculate the activity of each derivatives, and this was compared with the actual value.
The results of the cross-validated(g2=0.997) values show that cytotoxic activities play an important role which is in good agreement with the observed GI50 values.