Skip to main content

Table 2 Comparative assessment of BioTransformer’s and Meteor Nexus’ predictions of human (not including gut microbiome) single-step metabolism for 40 pharmaceuticals and pesticides

From: BioTransformer: a comprehensive computational tool for small molecule metabolism prediction and metabolite identification

  BioTransformer Meteor Nexus
EQUI PLAU PRO
True positives 188 152 96 28
False positives 198 279 74 19
False negatives 26 62 118 186
Total no. of predictions 386 433 170 47
Precision 0.49 0.35 0.56 0.59
Recall 0.88 0.71 0.45 0.13
No. of reported metabolites 224    
  1. The different confidence levels implemented by Meteor Nexus (Lhasa Limited) are: EQUIVOCAL (EQUI), PLAUSIBLE (PLAU), and PROBABLE (PROB)