Journal article
Experimental Screening of Dihydrofolate Reductase Yields a “Test Set” of 50,000 Small Molecules for a Computational Data-Mining and Docking Competition
Abstract
High-throughput screening (HTS) generates an abundance of data that are a valuable resource to be mined. Dockers and data miners can use "real-world" HTS data to test and further develop their tools. A screen of 50,000 diverse small molecules was carried out against Escherichia coli dihydrofolate reductase (DHFR) and compared with a previous screen of 50,000 compounds against the same target. Identical assays and conditions were maintained for …
Authors
Elowe NH; Blanchard JE; Cechetto JD; Brown ED
Journal
SLAS DISCOVERY, Vol. 10, No. 7, pp. 653–657
Publisher
Elsevier
Publication Date
October 2005
DOI
10.1177/1087057105281173
ISSN
2472-5552