CYP450 Isoform Screening
Deterministic screening validated across 8 cytochrome P450 isoforms with positive reference cases, using a diverse drug panel.
Performance overview
What the engine does
The CYP450 screening engine evaluates drug candidates for potential metabolism across 8 validated cytochrome P450 isoforms. It identifies candidate CYP substrate relationships and prioritizes likely primary metabolic pathways, providing a ranked screening result for further investigation.
In this validation, 98 drugs were scored. The per-isoform classification summary covers eight isoforms with positive reference examples; primary CYP Top-3 and Top-1 ranking results reflect the original broader screening panel.
Performance by CYP isoform
Accuracy, sensitivity, specificity, and confusion-matrix counts are shown for the eight isoforms with positive reference examples.
| Isoform | Accuracy | Sensitivity | Specificity | TP | TN | FP | FN |
|---|---|---|---|---|---|---|---|
| CYP1A2 | 92.9% 91/98 | 8/8 (100.0%) | 83/90 (92.2%) | 8 | 83 | 7 | 0 |
| CYP2B6 | 93.9% 92/98 | 8/9 (88.9%) | 84/89 (93.9%) | 8 | 84 | 5 | 1 |
| CYP2C8 | 94.9% 93/98 | 3/6 (50.0%) | 90/92 (97.8%) | 3 | 90 | 2 | 3 |
| CYP2C9 | 90.8% 89/98 | 10/13 (76.9%) | 79/85 (92.9%) | 10 | 79 | 6 | 3 |
| CYP2C19 | 91.8% 90/98 | 11/12 (91.7%) | 79/86 (91.9%) | 11 | 79 | 7 | 1 |
| CYP2D6 | 92.9% 91/98 | 17/21 (81.0%) | 74/77 (96.1%) | 17 | 74 | 3 | 4 |
| CYP2E1 | 98.0% 96/98 | 6/8 (75.0%) | 90/90 (100.0%) | 6 | 90 | 0 | 2 |
| CYP3A4 | 95.9% 94/98 | 35/36 (97.2%) | 59/62 (95.2%) | 35 | 59 | 3 | 1 |
Five additional isoforms were screened but are not included in this eight-isoform classification table because the reference panel contained no positive cases for them.
Challenging drugs across therapeutic classes
This validation deliberately spans chemically and pharmacologically diverse drugs, rather than relying on one narrow compound family. Examples from the reported drug-level results include:
Oncology & immunomodulation
Paclitaxel, venetoclax, methotrexate, cyclosporine, sirolimus
Neuropsychiatric & analgesic
Duloxetine, risperidone, thioridazine, fluoxetine, methadone, tramadol
Cardiovascular & metabolic
Warfarin, propafenone, atorvastatin, glipizide, repaglinide
Anesthesia & sedatives
Propofol, enflurane, isoflurane, midazolam, triazolam
Antimicrobials & other agents
Isoniazid, efavirenz, acyclovir, gentamicin, lithium
Negative controls
Non-CYP-metabolized drugs were included to challenge false-positive assignments, with both passes and failures disclosed below.
These are illustrative classes and compounds documented in the validation report, not a separately quantified class-stratified benchmark.
Drugs without CYP metabolism
Negative controls were included to test whether the system avoids assigning CYP metabolism to non-substrates. The source validation records seven passes and five failures among the twelve listed controls; vancomycin was excluded from scored isoform predictions.