QSAR & QSPR

Steric parameters• Length-toto-breadth ratio : L/B 1Molecular thickness• Molecular thicknessBLLB• Ovality 2(ratio of the actual surface area andminimum surface )• Molecular volumeovality =Surface area⎡⎢ ⎛ 3×volumn ⎞4π⎜⎟⎢ ⎝ 4π⎠⎣23⎤⎥⎥⎦• Sterimol parameters 3B1L axisL axisB1• Taft steric parameter E sB41. Janini, G.M.; Johnston, K.; Zielinski, W. L. Anal.Chem. 1975, 47, , 670.2. Verloop, A.; Tipker, J. In Biological Activity andChemical Structure, , Buisman, J. A. K.(editors),Elsevier, Amsterdam, Netherlands, 1977, p63.3. Kourounakis, A.; Bodor, N. Pharm. Res. 1995, 12(8),1199.B2B3