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Pure Appl. Chem., Vol. 71, No. 12, pp. 2349-2365, 1999

Glossary of Terms Used in Combinatorial Chemistry

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Heuristic: 'Providing aid or direction in the solution of a problem but otherwise unjustifed or incapable of justification.' (Webster’s Collegiate Dictionary). Tools such as genetic algorithms or neural networks employ heuristic methods to derive solutions which may be based on purely empirical information and which have no explicit rationalization.

High-Throughput Screening (HTS): Process for rapid assessment of the activity of samples from a combinatorial library or other compound collection, often by running parallel assays in plates of 96 or more wells. A screening rate of 100000 assays per day has been termed 'Ultra High Throughput Screening' (UHTS) 50.

Hit : Library component whose activity exceeds a predefined, statistically relevant threshold.

Hit Explosion: Process of establishing structure-activity relationships around a hit by preparing new libraries or series of analogs using related building blocks and/or scaffolds to those employed in the preparation of that hit.

In Silico Screening: see Virtual Screening

In Situ Scaffold Formation: Process whereby a scaffold is formed during library production which contains residues of at least two building blocks; compare preformed scaffold.

I.R. Thermography: Infrared thermography; Screening technique where the heat of reaction of a multitude of samples is simultaneously measured. Has been applied in particular to the screening of libraries of potential catalysts 51.

Iterative Deconvolution: Multi-step application of deconvolution where succesively smaller sub-libraries are prepared and tested to identify individual active members of a combinatorial library 22-24.

Kaiser Test: Analytical method for the determination of primary amines. Particularly useful for resin-bound analysis since the chromophoric product is released into solution allowing quantitation by colorimetry 52,53.

Knorr Resin: Amide-releasing, acid-cleavable solid support 54.

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