.Pharmacolibrary.UsersGuide.Overview

Information

Basic Information

Pharmacolibrary is a reusable Modelica library unifying Pharmacokinetic, pharmacodynamic, toxicokinetic, toxicodynamic, and pharmacogenomic constructs with standardized pharmacological terminology, units, and acausal connectors.
The following acausal connectors are available and reused in library:
domain potential
variables		 flow
variables		 stream
variables		 connector definition icons
chemical
concentration		 mass concentrationmass flow rate Pharmacolibrary.Interfaces 
ConcentrationPort, ConcentrationPort_a, ConcentrationPort_b
volumetric
flow		 pressurevolume flow rate mass concentration Pharmacolibrary.Interfaces 
FlowPort, FlowPort_a, FlowPort_b

Pharmacolibrary focuses it's components into these main pharmacological phenomena:

Library Domain

Description

Pharmacokinetic

Pharmacokinetic (PK) can model kinetic and toxicokinetic in terms of absorption, distribution, metabolism, elimination of a drug.

2 main approaches exists:

  1. compartmental models (1-compartment, 2-compartment, multi compartment models) - neglects cardiac output and simplifies tissue distribution. Most commonly published with these parameters:
    • m [mg] drug dose administered (Dose component)
    • F [0-1] bioavailability (Dose component)
    • Vd [l] volume of distribution (Compartment component)
    • Cl [l/min] elimination/intercompartmental clearance (Elimination component)
  2. PBPK models combines compartments with physiological based models, e.g. circulation.

Pharmacodynamic

Pharmacodynamic (PD) can model dynamic effect of a drug on target tissue or cells. Main components are Effect (LinearEffect, EmaxEffect,SigmoidEmaxEffect) that translates from drug concentration into a generic effect quantity.

Pharmacogenomic

Pharmacogenomic (PGx) can model dynamic influence of Genotype/Phenotype by altering parameters of PK/PD absorption, clearance, metabolism and effect.

Drugs

Drugs

Drugs library contains selected PK, PD, PG models organized by ATC index using 1'st level fourteen main anatomical/pharmacological groups and 2nd level pharmacological or therapeutic groups. Subsequent groups are not used and direct ATC code with drug name as package contains various basic or advanced models.
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