Comparison of biotransformation pathways represented across all the historical data sets. Individual metabolites, irrespective of species, were binned by phase (phase I oxidative/reductive metabolism or phase II conjugation) or by generation (number of biotransformation steps)
Metabolites detected in multiple species were only counted once.
| Circulating Metabolites In Vivo | Circulating Metabolites Correctly Predicted In Vitro | Success Rate (%) | |
|---|---|---|---|
| Phase I | 73 | 31 | 42 |
| Phase II | 21 | 10 | 48 |
| First-generation | 56 | 29 | 52 |
| Second-generation+ | 38 | 12 | 32 |