HTTK Data¶

The HTTKData class provides access to High-Throughput Toxicokinetics (HTTK) data from the EPA CompTox Dashboard, including pharmacokinetic parameters and ADME properties.

Overview¶

HTTK data includes:

Pharmacokinetic Parameters: Volume of distribution, clearance, half-life
ADME Properties: Absorption, distribution, metabolism, excretion
Model Parameters: For toxicokinetic modeling and simulation
Batch Operations: Efficient processing of multiple chemicals

Quick Start¶

from pycomptox import HTTKData

# Initialize the client
httk = HTTKData()

# Get HTTK data for a chemical
dtxsid = "DTXSID0020232"
httk_params = httk.httk_data_by_dtxsid(dtxsid)

# Batch operation
dtxsids = ["DTXSID0020232", "DTXSID7020182"]
batch_data = httk.httk_data_by_dtxsid_batch(dtxsids)

API Methods¶

HTTK Data by DTXSID¶

httk = HTTKData()
params = httk.httk_data_by_dtxsid("DTXSID0020232")

for param in params:
    print(f"Parameter: {param.get('parameterName')}")
    print(f"Value: {param.get('parameterValue')}")
    print(f"Units: {param.get('parameterUnits')}")
    print(f"Model: {param.get('modelName')}")

Batch Operations¶

dtxsids = ["DTXSID0020232", "DTXSID7020182"]
batch_data = httk.httk_data_by_dtxsid_batch(dtxsids)

for result in batch_data:
    print(f"{result.get('dtxsid')}: {result.get('parameterName')}")

Use Cases¶

Toxicokinetic Modeling¶

# Get PK parameters for dose-response modeling
httk = HTTKData()
dtxsid = "DTXSID0020232"
pk_data = httk.httk_data_by_dtxsid(dtxsid)

# Extract key parameters
for param in pk_data:
    if param.get('parameterName') == 'Vdist':
        vd = param.get('parameterValue')
    elif param.get('parameterName') == 'Clint':
        clearance = param.get('parameterValue')

Batch Analysis¶

# Analyze HTTK data for multiple chemicals
chemicals = ["DTXSID0020232", "DTXSID7020182", "DTXSID3020268"]
httk = HTTKData()
results = httk.httk_data_by_dtxsid_batch(chemicals)

# Group by chemical
from collections import defaultdict
by_chemical = defaultdict(list)
for result in results:
    by_chemical[result.get('dtxsid')].append(result)

API Reference¶

For complete API details, see HTTKData API Reference.