Regression equations

MRL

pIC 50 pred = 902.89167 1.16813 AE + 0.35349 ν ( O-H ) 0.09615 ν ( N-H )

NMR

pIC 50 pred = 186539 1.27488 AE 121.60150 ν ( O-H ) + 16.28351 ν ( N-H ) + 0.03043 AE 2 + 0.01712 ν ( O-H ) 2 0.00226 ν ( N-H ) 2