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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