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Table 1 Comparisons our method with Guo’ method

From: An integrated approach with new strategies for QSAR models and lead optimization

  Our method Guo et al.
Docking Tool GEMDOCK GOLD
Features Atom/residue features Residue features
q 2a 0.82 (mean) 0.72
r 2 b 0.723 (mean) 0.63
  1. a,bThe q 2 and r 2 values are the means of 30 independent QSAR models