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Table 4 Estimated Precision (P) and Recall (R) rates for classification of substructure patterns.

From: Automated extraction of chemical structure information from digital raster images

  ChemReader OSRA CLiDE Kekule
  P R P R P R P R
1. Hierarchic Element Counts 0.95 0.92 0.95 0.83 0.95 0.59 0.88 0.57
2. Rings 0.87 0.83 0.84 0.73 0.76 0.37 0.61 0.51
3. Simple atom pairs 0.93 0.92 0.93 0.83 0.94 0.60 0.95 0.56
4. Simple atom nearest neighbors 0.94 0.86 0.89 0.73 0.83 0.41 0.89 0.43
5. Detailed atom neighborhoods 0.89 0.89 0.93 0.71 0.92 0.40 0.92 0.052
6. Simple SMARTS patterns 0.93 0.84 0.92 0.68 0.90 0.36 0.93 0.42
7. Complex SMARTS patterns 0.84 0.75 0.78 0.62 0.60 0.27 0.67 0.33