Note that in both Figures 5 and 6 the concentration is calculated rather than estimated. Structure activity relationship is the term used in the study of analog compounds. In theory, analog compounds will all interact with the target in similar ways. This information can be used to narrow the search for the most active compounds. Finally, small-scale purification can demonstrate that the intended product in a crude synthesis gave rise to the observed activity.
MS enables structure identification and verification.
Because small-scale fractionation does not produce enough sample to weigh, the chemiluminescent nitrogen detector can measure the actual concentration in solution and confirm whether or not the identified compound produced the activity measured. It provides a fast, efficient, and routine way to make and screen thousands of potential pharmaceutical compounds in a fraction of the time it took a few years ago. MS is the essential analytical technology for compound identification. The authors gratefully acknowledge Gavin Dollinger and Eric Taylor of Chiron Corp. for their close working relationship, their valuable input on improvements to the chemiluminescent nitrogen detector, and their expertise in the area of combinatorial chemistry. E.W. Taylor, M.G. Qian, and G.D. Dollinger, Anal.