ABSTRACT
110The Superposing Significant Interaction Rules method is a simple rule generator that detects molecular aggregations especially rich in molecules tagged as being of interest under certain criterion. A series of rules are used to rank molecular sets of congeneric families, and the procedure allows for proposing new structures in a kind of inverse Structure-Activity Relationship (SAR). An example of application is shown demonstrating how, due to the simple arbitrary and symbolic molecular codification needed, the method can serve to generate confidential models. As the method deals with dichotomic properties, a special balanced leave-two-out procedure is also considered.
