WHAT IS SIMULATION? Computer simulation is the discipline of designing a model of an actual or theoretical physical system, executing the model on a digital computer, and analyzing the execution output.
Efficacy is defined as the maximum effect a drug can produce, regardless of the dose. Potency is related to the amount of drug needed to produce a given effect; it is often quantified by the ED50 or EC50, which are respectively the drug dose or concentration that causes 50% of the maximum effect. Affinity is defined as a drug's ability to bind to a receptor.
Lipophilic efficiency (LiPE), sometimes referred to as ligand-lipophilicity efficiency (LLE) is a parameter used in drug design and drug discovery to evaluate the quality of research compounds, linking potency and lipophilicity in an attempt to estimate druglikeness.igh potency (high value of pIC 50) is a desirable attribute in drug candidates, as it reduces the risk of non-specific, off-target pharmacology at a given concentration. When associated with low clearance, high potency also allows for low total dose, which lowers the risk of idiosyncratic drug reaction.