Faber, K., Institute of Organic Chemistry, Graz University of Technology, Stremayrg. 16, A-8010, Graz, Austria
Griengl, H., Institute of Organic Chemistry, Graz University of Technology, Stremayrg. 16, A-8010, Graz, Austria
Hönig, H., Institute of Organic Chemistry, Graz University of Technology, Stremayrg. 16, A-8010, Graz, Austria
Zuegg, J., Institute of Organic Chemistry, Graz University of Technology, Stremayrg. 16, A-8010, Graz, Austria

Comparative molecular field analysis (CoMFA) was used to derive a quantitative substrate model for the enzymatic resolution of norbornanol esters by the lipase of Candida rugosa. Within these calculations, the steric and electrostatic interactions of both enantiomers and the differences in the corresponding two fields were used for the correlation of the substrate structure with the enantioselectivity of the hydrolysis. Different alignments of the molecules were used to improve the model. © 1994 Informa UK Ltd All rights reserved: reproduction in whole or part not permitted.