identifies a target structure or set of structures from which a
( modal ) fingerprint can be derived.
•This target fingerprint is compared with
a whole set of other fingerprints, be
they in a database under merlin or Oracle®, or a file.
selection of compounds is made where the fingerprint comparison exceeds a certain value, or the whole list is ordered.
•If a bioactive
target is searched for, then the top-ranked molecules, or nearest neighbours are also likely to possess that