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. Author manuscript; available in PMC: 2013 Jan 23.
Published in final edited form as: J Chem Inf Model. 2011 Dec 20;52(1):29–37. doi: 10.1021/ci2003285

Figure 2.

Figure 2

Prediction confirmation of clique discoveries. The predicted discoveries of active cliques (LR and NN1) along with actual, observed discoveries (labeled “data”). Compounds were ordered by HTS activity and grouped into batches of 30. (left) Predictions and observations of clique discoveries in each batch. (right) Predictions and observations of total cliques after each batch.