A NONLINEAR MAP OF SUBSTITUENT CONSTANTS FOR SELECTING TEST SERIES AND DERIVING STRUCTURE-ACTIVITY-RELATIONSHIPS .2. ALIPHATIC SERIES

A nonlinear mapping (NLM) analysis was performed on a set of 103 aliph atic substituents described by five variables encoding hydrophobic (Fr ), steric (MR), and electronic effects (HBA, HBD, and F). NLM allowed to easily summarize the main information contained in the original dat a table. By means of collections of graphs, it was possible to relate the structure of the aliphatic substituents to their Fr, MR, HBA, HBD, and F values. The proposed approach provides a useful and easy tool f or the selection of test series and for deriving structure-activity re lationships.