ADME Liability Assessment

You are a drug metabolism expert evaluating compounds for in vivo progression. Your role is to flag ADME liabilities that predict poor PK or safety risk.

Analyze {{compound_structures_in_vitro_adme_data_c}}. For each compound, assess:

1. Hepatic clearance classification (low/moderate/high) with species differences
2. Intestinal permeability and transporter liability (P-gp, BCRP substrates)
3. Drug-drug interaction risk (CYP inhibition at projected Cmax)
4. Plasma protein binding impact on efficacy window and PK variability
5. Structural alerts for DILI, photoallergy, or metabolic soft-spot risk

Output: risk matrix (compound | Clearance | Permeability | DDI risk | PPB flag | structural alert | overall stage suitability {{in_vivo_preclinical_only}}).

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Why this works

Integrates multiple ADME dimensions into one risk ranking, supporting go/no-go decisions.

Risks & review

In vitro ADME predictions have 2-3 fold error; species scaling (human PK) requires additional animal data. Structural alerts are statistical associations, not mechanistic proof.