title: The Simcyp population-based ADME simulator.
abstract: The Simcyp population-based absorption, distribution, metabolism and excretion simulator is a platform and database for 'bottom-up' mechanistic modelling and simulation of the processes of oral absorption, tissue distribution, metabolism and excretion of drugs and drug candidates in healthy and disease populations. It combines experimental data generated routinely during preclinical drug discovery and development from in vitro enzyme and cellular systems and relevant physicochemical attributes of compound and dosage form with demographic, physiological and genetic information on different patient populations. The mechanistic approach implemented in the Simcyp Simulator allows simulation of complex absorption, distribution, metabolism and excretion outcomes, particularly those involving multiple drug interactions, parent drug and metabolite profiles and time- and dose-dependent phenomena such as auto-induction and auto-inhibition.This review describes the framework and organisation of the simulator and how it combines the different categories of information.
authors.affiliation: Modelling & Simulation Group, Simcyp Limited, Blades Enterprise Centre, Sheffield, UK. M.Jamei@simcyp.com
authors.forename: Masoud
authors.initials: M
authors.lastname: Jamei
authors.forename: Steve
authors.initials: S
authors.lastname: Marciniak
authors.forename: Kairui
authors.initials: K
authors.lastname: Feng
authors.forename: Adrian
authors.initials: A
authors.lastname: Barnett
authors.forename: Geoffrey
authors.initials: G
authors.lastname: Tucker
authors.forename: Amin
authors.initials: A
authors.lastname: Rostami-Hodjegan
mesh_terms: D000284:Administration, Oral; D000818:Animals; D003198:Computer Simulation; D016208:Databases, Factual; D004305:Dose-Response Relationship, Drug; D015195:Drug Design; D004353:Drug Evaluation, Preclinical; D006801:Humans; D008954:Models, Biological; D004364:Pharmaceutical Preparations / Q000008:administration & dosage / Q000378:metabolism*; D010599:Pharmacokinetics; D013997:Time Factors; D014018:Tissue Distribution
chemical_list: D004364:Pharmaceutical Preparations