ABSTRACT
While traditional Quantitative Structure Activity Relationship (QSAR) approaches have been used in the design of therapeutic agents, the application of newer, knowledge-based expert Structure Activity Relationship ( SAR) systems for this purpose has as yet been limited. However, the availability of these recently developed methods has permitted a number of new approaches to the design and/or recognition of novel, therapeutically promising agents. The application of these approaches has allowed:
I. the systematic analysis of noncongeneric data bases, 2. the ability to derive mechanistic information, 3. "coupling" of data bases of therapeutic effectiveness with those of unwanted side effects (e.g.,
toxicity), 4. the ability to perform more informed risk assessments, and 5. the ability to screen rapidly for molecules endowed with potentially useful therapeutic properties.
