Diversity Analysis

The diversity of chemical libraries can be utilized to
compare libraries, fill voids in libraries, and identify regions
of "chemical space" that have a preponderance of active

of active compounds. CADDinformatics
maintains a "virtual" chemical library
of over 3 million commercially
available compounds that can be
mined to identify "near neighbors" of
active compounds. It is likely that
many of these neighboring compounds
will be in different chemical classes
than the original compound(s) that
were used as in the analysis.