Modelling and Simulation

The in vivo Pharmacokinetics (PK) and Pharmacodynamics (PD) of a compound or drug can be represented as mathematical models. Developing PK, PD or PK/PD models help in simulations of what-if scenarios such as prediction of quantitative pharmacological effect when a compound is given as single, two or three doses in a day, concentration-time profiles for different doses and regimens, time needed for complete efficacy. Such simulations help in designing optimal experiments, selection of time points for collection of data, prediction of effect in long duration studies thus avoiding time consuming studies, and prediction of PK and PD profiles in human populations. Modelling and Simulation (M&S) is a powerful tool in drug discovery and development and is being increasingly sought by the regulatory authorities for decision making.


  • Modelling PK: NCA, Compartment, PBPK models
  • PK/PD Modelling
  • Simulation of "what-if" scenarios with PK, PD and PK/PD models
  • Prediction of Human PK : Allometry, PBPK