Datasets:

ClarusC64
/

ABX-HT-010_drug_drug_interaction_emergence-v0.1

row_id string	series_id string	timepoint_h int64	host_model string	abx_drug string	abx_dose_mg int64	abx_conc_ng_mL int64	expected_abx_conc_ng_mL int64	abx_conc_deviation int64	concomitant_drug string	concomitant_exposure_index float64	expected_interaction_shift int64	interaction_shift_deviation int64	ddi_coherence_index float64	host_stress_index float64	later_adverse_ddi_flag int64	assay_method string	source_type string	ddi_emergence_signal int64	earliest_ddi_emergence int64	notes string
ABXHT010-TR-0001	S1	0	human_sim	clarithromycin	500	120	120	0	simvastatin	0.1	0	0	0.9	0.1	0	pk_ddi_panel	simulated	0	0	baseline
ABXHT010-TR-0002	S1	12	human_sim	clarithromycin	500	140	140	0	simvastatin	0.9	25	-25	0.6	0.9	0	pk_ddi_panel	simulated	0	0	expected shift present
ABXHT010-TR-0003	S1	24	human_sim	clarithromycin	500	220	140	80	simvastatin	0.9	25	55	0.35	0.9	0	pk_ddi_panel	simulated	0	0	first emergence
ABXHT010-TR-0004	S1	36	human_sim	clarithromycin	500	230	140	90	simvastatin	0.9	25	65	0.3	0.9	0	pk_ddi_panel	simulated	1	1	onset
ABXHT010-TR-0005	S1	72	human_sim	clarithromycin	500	260	140	120	simvastatin	0.9	25	95	0.2	0.9	1	pk_ddi_panel	simulated	1	0	adverse later
ABXHT010-TR-0006	S2	0	human_sim	amoxicillin	500	110	110	0	metformin	0.1	0	0	0.9	0.1	0	pk_ddi_panel	simulated	0	0	baseline
ABXHT010-TR-0007	S2	24	human_sim	amoxicillin	500	112	110	2	metformin	0.9	0	2	0.86	0.9	0	pk_ddi_panel	simulated	0	0	no interaction
ABXHT010-TR-0008	S2	48	human_sim	amoxicillin	500	108	110	-2	metformin	0.9	0	-2	0.84	0.9	0	pk_ddi_panel	simulated	0	0	no interaction
ABXHT010-TR-0009	S3	0	human_sim	clarithromycin	500	230	140	90	none	0	0	90	0.3	0.9	1	pk_ddi_panel	simulated	0	0	no concomitant
ABXHT010-TR-0010	S4	36	human_sim	clarithromycin	500	230	140	90	simvastatin	0.9	25	65	0.3	0.3	1	pk_ddi_panel	simulated	0	0	stress low

ABX-HT-010 Drug-Drug Interaction Emergence

Purpose

Detect early interaction emergence when antibiotic exposure stops tracking expected interaction shift with concomitant medications.

Core pattern

host_stress_index high
concomitant_exposure_index high
ddi_coherence_index drops
interaction_shift_deviation stays high
later_adverse_ddi_flag appears

Files

data/train.csv
data/test.csv
scorer.py

Schema

Each row is one timepoint in a within series PK and medication exposure course.

Required columns

row_id
series_id
timepoint_h
host_model
abx_drug
abx_dose_mg
abx_conc_ng_mL
expected_abx_conc_ng_mL
abx_conc_deviation
concomitant_drug
concomitant_exposure_index
expected_interaction_shift
interaction_shift_deviation
ddi_coherence_index
host_stress_index
later_adverse_ddi_flag
assay_method
source_type
ddi_emergence_signal
earliest_ddi_emergence

Labels

ddi_emergence_signal
- 1 for rows at or after first confirmed emergence onset
earliest_ddi_emergence
- 1 only for the first onset row in that series

Scorer logic in v1

require a concomitant medication signal in the series
candidate onset point
- host_stress_index at least 0.80
- concomitant_exposure_index at least 0.80
- ddi_coherence_index at most 0.40
- absolute interaction_shift_deviation at least 40 for two consecutive points
- ignore one point deviation spike then recovery artifacts
confirmation
- later_adverse_ddi_flag equals 1 later in series

Evaluation

Run

python scorer.py --path data/test.csv

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