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. Author manuscript; available in PMC: 2010 May 1.
Published in final edited form as: J Comput Aided Mol Des. 2009 Jan 20;23(5):289–299. doi: 10.1007/s10822-008-9258-8

Table 2.

True/false positive/negatives in predicting the best-scoring RMSD from the correct binding mode based on the SCI score with different scoring functions.

SCI RMSD AffiScore DrugScore X-Score
True Positive > 0.8 ≤ 2.0 Å 30% 48% 48%
False Positive > 0.8 > 2.0 Å 4% 4% 18%
True Negative ≤ 0.8 > 2.0 Å 28% 26% 14%
False Negative ≤ 0.8 ≤ 2.0 Å 38% 22% 20%