Clustering a large number of compounds. 2. Using the connection machine
- 1 May 1991
- journal article
- research article
- Published by American Chemical Society (ACS) in Journal of Chemical Information and Computer Sciences
- Vol. 31 (2) , 345-347
- https://doi.org/10.1021/ci00002a022
Abstract
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.Keywords
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