Retesting and Deconvolution Strategy

In the retesting and deconvolution phase of the procedure new compound mixtures were made based on the results of primary screening. These contained from nine to 14 compounds and no monoisotopic mass redundancy. Since most mass spectrometric peaks picked as hits in the primary screen contain more than one compound, and only one compound per peak is likely to be a binder, the nonmass redundant retest mixtures are unlikely to contain more than a few bona fide ligands, so once again target excess is maintained. Both the initial (round zero, 

prior to first round of filtration) and final (round three, R3, after three rounds of selection) mixtures are sampled. The free target concentration is in excess over individual ligands, so the amount of compound bound at equilibrium can be estimated according to Eq. (1). 

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