Pharmacokinetics simulation is a simulation method used in determining the safety levels of a drug during its

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Purpose

Pharmacokinetics simulation gives an insight to drug efficacy and safety before exposure of individuals to the new drug that might help to improve the design of a

clinical trial Clinical trials are prospective biomedical or behavioral research studies on human participants designed to answer specific questions about biomedical or behavioral interventions, including new treatments (such as novel vaccines, drugs, dietar ...

. Pharmacokinetics simulations help in addition in therapy planning, to stay within the therapeutic range under various physiological and pathophysiological conditions, e.g.,

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Simulators

Simcyp Simulator Simcyp Limited is a research-based company which provides modelling and simulation software to the pharmaceutical industry for use during drug development. Simcyp is based in Sheffield, UK. Simcyp’s Simulators allow '' in silico'' prediction of ...

and GastroPlus (from

Simulations Plus Simulations Plus, Inc. develops absorption, distribution, metabolism, excretion, and toxicity ( ADMET) modeling and simulation software for the pharmaceutical and biotechnology, industrial chemicals, cosmetics, food ingredients, and herbicide indu ...

) are simulators that take account for individual variabilities. PharmaCalc v02 and PharmaCalcCL allow to simulate individual plasma-concentration time curves based on (published) pharmacokinetic parameters such as half-life, volume of distribution etc. Simulation Computational chemistry {{computer-chemistry-stub