Combinatorial Chemistry
“Combinatorial chemistryinvolves the rapid synthesis or the computer simulation of a large number of different but structurally related molecules or materials. It is especially common in CADD (Computer aided drug design) and can be done online with web based software, such as molinspiration.”
Materials science has applied the techniques of combinatorial chemistry to the discovery of new materials. This work was pioneered by P.G. Schultz et al. in the mid nineties. in the context of luminescent materials obtained by co-deposition of elements on a silicon substrate. His work was preceded by J. J. Hanak in 1970but the computer and robotics tools were not available for the method to spread at the time. Work has been continued by several academic groupsas well as companies with large research and development programs (Symyx Technologies, GE, Dow Chemical etc.). The technique has been used extensively for catalysis, coatings, electronics, and many other fields. The application of appropriate informatics tools is critical to handle, administer, and store the vast volumes of data produced. New types of Design of experiments methods have also been developed to efficiently address the large experimental spaces that can be tackled using combinatorial methods.”