Datasets:
row_id string | series_id string | timepoint_h int64 | host_model string | drug string | drug_conc_mg_L float64 | expected_drug_conc_mg_L float64 | conc_deviation float64 | clearance_L_h float64 | expected_clearance_L_h float64 | clearance_drop_vs_expected float64 | ALT_U_L float64 | expected_ALT_U_L float64 | ALT_rise_vs_expected float64 | hepatic_coherence_index float64 | exposure_index float64 | stress_index float64 | later_hepatotox_flag int64 | assay_method string | source_type string | hepatic_saturation_signal int64 | earliest_hepatic_saturation int64 | notes string |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
ABXHT003-TR-0001 | S1 | 0 | human_sim | rifampin | 6 | 6 | 0 | 12 | 12 | 0 | 22 | 22 | 0 | 0.9 | 0.1 | 0.1 | 0 | pk_clearance_alt_panel | simulated | 0 | 0 | baseline |
ABXHT003-TR-0002 | S1 | 12 | human_sim | rifampin | 7 | 7 | 0 | 11.5 | 11.5 | 0 | 24 | 24 | 0 | 0.88 | 0.85 | 0.9 | 0 | pk_clearance_alt_panel | simulated | 0 | 0 | tracks expected |
ABXHT003-TR-0003 | S1 | 24 | human_sim | rifampin | 10.5 | 8 | 2.5 | 8.5 | 11 | 2.5 | 26 | 26 | 0 | 0.35 | 0.9 | 0.9 | 0 | pk_clearance_alt_panel | simulated | 0 | 0 | first saturation drift |
ABXHT003-TR-0004 | S1 | 36 | human_sim | rifampin | 12 | 8.5 | 3.5 | 8 | 11 | 3 | 28 | 26 | 2 | 0.3 | 0.9 | 0.9 | 0 | pk_clearance_alt_panel | simulated | 1 | 1 | confirmed onset |
ABXHT003-TR-0005 | S1 | 72 | human_sim | rifampin | 18 | 9 | 9 | 5 | 10.5 | 5.5 | 140 | 30 | 110 | 0.2 | 0.9 | 0.9 | 1 | pk_clearance_alt_panel | simulated | 1 | 0 | hepatotox later |
ABXHT003-TR-0006 | S2 | 0 | human_sim | azithromycin | 2 | 2 | 0 | 15 | 15 | 0 | 18 | 18 | 0 | 0.9 | 0.1 | 0.1 | 0 | pk_clearance_alt_panel | simulated | 0 | 0 | baseline |
ABXHT003-TR-0007 | S2 | 24 | human_sim | azithromycin | 2.2 | 2.2 | 0 | 14.8 | 14.8 | 0 | 19 | 19 | 0 | 0.86 | 0.9 | 0.9 | 0 | pk_clearance_alt_panel | simulated | 0 | 0 | stable |
ABXHT003-TR-0008 | S2 | 48 | human_sim | azithromycin | 2.1 | 2.1 | 0 | 14.9 | 14.9 | 0 | 19 | 19 | 0 | 0.84 | 0.9 | 0.9 | 0 | pk_clearance_alt_panel | simulated | 0 | 0 | stable |
ABXHT003-TR-0009 | S3 | 0 | human_sim | rifampin | 6 | 6 | 0 | 12 | 12 | 0 | 90 | 90 | 0 | 0.9 | 0.9 | 0.9 | 1 | pk_clearance_alt_panel | simulated | 0 | 0 | baseline ALT high |
ABXHT003-TR-0010 | S4 | 0 | human_sim | rifampin | 12 | 8.5 | 3.5 | 8 | 11 | 3 | 28 | 26 | 2 | 0.3 | 0.9 | 0.3 | 1 | pk_clearance_alt_panel | simulated | 0 | 0 | stress low |
ABX-HT-003 Hepatic Metabolism Saturation
Purpose
Detect early hepatic metabolism saturation when PK and liver enzyme response stop tracking expected behavior before hepatotoxicity appears.
Core pattern
- stress_index high
- exposure_index high
- hepatic_coherence_index drops
- conc_deviation rises
- clearance_drop_vs_expected rises
- later_hepatotox_flag appears
Files
- data/train.csv
- data/test.csv
- scorer.py
Schema
Each row is one timepoint in a within series time course.
Required columns
- row_id
- series_id
- timepoint_h
- host_model
- drug
- drug_conc_mg_L
- expected_drug_conc_mg_L
- conc_deviation
- clearance_L_h
- expected_clearance_L_h
- clearance_drop_vs_expected
- ALT_U_L
- expected_ALT_U_L
- ALT_rise_vs_expected
- hepatic_coherence_index
- exposure_index
- stress_index
- later_hepatotox_flag
- assay_method
- source_type
- hepatic_saturation_signal
- earliest_hepatic_saturation
Labels
hepatic_saturation_signal
- 1 for rows at or after first confirmed saturation onset
earliest_hepatic_saturation
- 1 only for the first onset row in that series
Scorer logic in v1
- exclude series with high baseline ALT
- candidate onset point
- stress_index at least 0.80
- exposure_index at least 0.80
- hepatic_coherence_index at most 0.40
- conc_deviation at least 2.0
- clearance_drop_vs_expected at least 2.0
- for two consecutive points
- ignore one point ALT spike then recovery artifacts
- confirmation
- later_hepatotox_flag equals 1 later in series
Evaluation
Run
- python scorer.py --path data/test.csv
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