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NCGC Pyruvate Kinase Inhibitors

# moleculesTraining SetTest Set 1Test Set 2
Structures (SDF)51441122719940
AID361:Activity Score *51441--
RECON descriptors48759122719940
MOE descriptors48759122719940
PEST descriptors48759--
(All descriptor files are in gzipped, comma separated format with Activity Score in the last column)
* James Inglese, Douglas S. Auld, Ajit Jadhav, Ronald L. Johnson, Anton Simeonov, Adam Yasgar, Wei Zheng, and Christopher P. Austin, "Quantitative high-throughput screening: A titration-based approach that efficiently identifies biological activities in large chemical libraries" PNAS August 1, 2006, vol. 103, no. 31, pp.11473-11478; PubChem Entry
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