| strategy,structural_class,n_observations_min,n_observations_max,n_groups_min,n_groups_max,mae_mean,mae_sd,rmse_mean,rmse_sd,bias_mean,bias_sd | |
| canonical_grouped,Aliphatic amine,110.0,145.0,44.0,48.0,0.3700076808952339,0.05729703783375277,0.6279631303105461,0.09306180916027636,-0.06545176481814582,0.01713097775122664 | |
| canonical_grouped,Ester,30.0,38.0,10.0,11.0,0.3848991453223076,0.09369559054322914,0.5559993417460841,0.1736273946165191,-0.09811005414474162,0.20143523035162 | |
| canonical_grouped,Amide,90.0,147.0,35.0,46.0,0.35322544063828404,0.04394515215476212,0.5656436128102335,0.09383688576972606,0.01288555900550053,0.02655821832748375 | |
| canonical_grouped,Multi-heteroaromatic,2.0,32.0,1.0,8.0,0.31223059205854603,0.15404943096098653,0.46531221190889943,0.24855056243237703,0.03888779503789741,0.22689850225889602 | |
| canonical_grouped,Polycyclic aromatic,25.0,64.0,9.0,25.0,0.2981890255403193,0.03141486193656998,0.4137252488938323,0.09576609841611188,-0.011892347834826103,0.05430809328810785 | |
| canonical_grouped,Carboxylic acid,1.0,22.0,1.0,11.0,0.4676420728299559,0.2653977844828244,0.5379781743870132,0.22184961067244316,0.3301663832799217,0.4067423380706761 | |
| canonical_grouped,Indole/tryptamine,11.0,22.0,7.0,8.0,0.31188609601715295,0.07884910165927259,0.4317319696282767,0.11841022285055203,0.07187034921995668,0.1451647582269003 | |
| canonical_grouped,Aromatic amine,4.0,8.0,3.0,4.0,0.7632615510266527,0.33951994986666334,1.0031499116995826,0.5813477383417527,-0.21489018281497704,0.822095680124843 | |
| canonical_grouped,Other,1.0,4.0,1.0,2.0,0.38551417173292546,0.1208355358093752,0.44866014562513384,0.21013742849699368,0.0300417306109656,0.466849257209545 | |
| scaffold_aware,Ester,147.0,172.0,42.0,46.0,0.6001652890092735,0.06364816676730874,0.8070388057493054,0.1057416870537205,-0.40483456098652276,0.050063392863720524 | |
| scaffold_aware,Amide,247.0,270.0,81.0,88.0,0.7342775524046123,0.030540522093543247,0.9585817579197,0.013118905495322191,-0.34092506235404413,0.009063276813900437 | |
| scaffold_aware,Aliphatic amine,175.0,208.0,57.0,73.0,0.6589089507657359,0.08494853162339175,0.9179797772533281,0.14742030819179483,-0.36076023559529746,0.14116101330228292 | |
| scaffold_aware,Multi-heteroaromatic,6.0,44.0,4.0,15.0,0.4197410370826933,0.15163474679724165,0.568297636903408,0.17838698106021492,-0.24022671238102244,0.07942575777341089 | |
| scaffold_aware,Polycyclic aromatic,16.0,49.0,8.0,19.0,0.5154884116964958,0.23490359771190114,0.7073682462356451,0.3486170662500248,-0.014679721941467957,0.1777027072367537 | |
| scaffold_aware,Carboxylic acid,55.0,57.0,23.0,26.0,0.7532063099195984,0.04520644117954972,1.0874717391812214,0.04636335219161283,0.44055507668843613,0.05311140439829734 | |
| scaffold_aware,Aromatic amine,26.0,30.0,11.0,13.0,0.809728462212171,0.105880319500695,0.9390034450972142,0.11601286877201565,-0.5364468446138645,0.18110936739165986 | |
| scaffold_aware,Other,6.0,6.0,3.0,4.0,0.6418989219363479,0.07119018194959059,0.8395063055570587,0.018213253689663107,-0.34620526373829025,0.48936416368099805 | |