Snap deconvolution: An informatics approach to high-throughput discovery of catalytic reactions

Abstract

A triple search for coupling reactions Coupling reactions are, in principle, good candidates for high-throughput discovery: Simply mix a diverse set of reagents and then look for products that combine two or three of their masses. In practice, however, numerous different products might have masses that are too similar to distinguish quickly. Troshin and Hartwig circumvented this problem by screening three pools of reagents in parallel that shared the same reactive functionality but differed in mass by carefully chosen increments. Specific products could then be identified in a noisy distribution by their distinctive expected mass differences across the three pools. Science , this issue p. 175