MUG '02 -- 26 Feb - 1 Mar, 2002

Directing Compound Selection

Man-Ling Lee


Sphere exclusion is a well known algorithm for compiling diverse subsets of compounds. We have modified the algorithm to improve the reproducibility of the selection process. Also, we have used an algorithm based on sphere exclusion to select plates of compounds as opposed to single compounds.

Presentation slides:

Daylight Chemical Information Systems, Inc.