Glossary of Terms Used in Combinatorial
Chemistry
[A-B]
[C] [D] [E-G]
[H-K] [L]
[M-N] [O-P] [Q] [R]
[S] [T] [U-Z]
H-K
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.
