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Table 3 Evaluation of BioTransformer’s performance in predicting human and human gut microbial metabolism of 20 small molecules

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

  BioTransformer
True positives 111
False positives 49
False negatives 17
Total no. of predictions 160
Precision 0.69
Recall 0.87
No. of reported metabolites 128