Evaluation of Distance Metrics for Ligand‐Based Similarity Searching
Uli Fechner, Gisbert Schneider · ChemBioChem · 2004
A new way to the library. Chemical similarity searching methods can be combined to yield focused compound libraries that contain a significant proportion of active molecules. A straightforward procedure is described that is grounded on the unification of sets of top-ranking compounds retrieved by different similarity metrics (see figure).