Abstract: In the present study use of quantum chemical parameters in biochemical interaction analysis is made for the Tyrosin
kinase inhibition activity of Flavonoid derivatives. Soft computation methods have been applied to estimate and analysis the
quantum chemical parameters for the studied derivatives. Analysis is made on the basis of multiple linear regression analysis and
it is observed from the result that the quantum chemical parameters can be used for the prediction of biochemical interaction
mechanism and structural or substitution effects on the chemical structure of the molecule lead towards the biochemical behavior
of the chemical entity.