Clustering a large number of compounds. 2. Using the connection machine
Robert Whaley, Louis Hodes · Journal of Chemical Information and Computer Sciences · 1991
About 230,000 compounds in the National Cancer Institute Repository are available for screening under a new protocol. This paper is the second on an project to extract a representative sample of these compounds by clustering. The clustering program was implemented on the Connection Machine, a massively parallel computer with 16K processing elements. This implementation reduced a formidable task to a relatively routine run.