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The theory of sets as a tool in systematic drug design.

A strategy of practical drug design is developed on the basis of the theory of sets. This strategy accounts for the fact that new drugs are required to optimally approach a certain activity profile rather than showing maximal intrinsic activity. In addition, modern structure selection techniques as well as qualitative and quantitative structure-activity relationships are incorporated in the strategy so as to optimally contribute to an economical use of experimental capacity.