Prediction of the remaining activity of horse liver alcohol dehydrogenase after exposure to various organic solvents

Twenty solvents were selected from a principal component (PC) analysis of 1 03 organic solvents. The solvents were selected so as to obtain a set of te st items that spanned a large range of molecular properties of the selected solvents. The activity of free and Celite-Immobilized horse liver alcohol dehydrogenase (HLADH) obtained after 20h exposure to these solvents were us ed to create a PLS model based on 14 solvent descriptors. A correlation coe fficient of 0.997 between the predicted and the observed remaining activity was obtained. A slightly worse PLS model was obtained using only three solvent descriptor s (log P, dielectric constant and melting point). A correlation coefficient of 0.957 between the predicted and the observed remaining activity was obt ained. The latter model was used to predict the remaining activity of HLADH after its exposure to 93 organic solvents.