opendose_poppk.database

opendose_poppk.database

Drug database management for OpenDose-PopPK.

Classes

DrugDatabase : Load and retrieve drug parameters from CSV

class opendose_poppk.database.DrugDatabase(csv_path: str)

Bases: object

Load and provide pharmacological parameters from a CSV file.

Expected CSV columns

Drug, F, ka_h, ke_h, Vd_L, EC50_ugmL, n_hill, dose_mg, notes

Example

>>> db   = DrugDatabase("datasets/drugs_parameters.csv")
>>> info = db.get_drug("Paracetamol")
>>> pk   = PKModel(**info.pk_kwargs)

dataframe() → DataFrame

Return a copy of the drugs dataframe.

get_drug(name: str) → _DrugInfo

Get drug parameters by name.

list_drugs() → list[str]

Return list of available drugs.

opendose_poppk.database.validate_drug_csv(csv_path: str) → tuple[DataFrame, dict]

Load, validate and normalize a drug-parameter CSV.

opendose_poppk.database.validate_drug_dataframe(df: DataFrame) → tuple[DataFrame, dict]

Validate and normalize drug-parameter dataset.