Patent Document ID: 7539607
Application ID: 10714791
Patent Flag: 1

Claim One:
1. A computer system for calculating a pharmacokinetic behavior of a chemical substance in an insect based on at least one physicochemical property of said chemical substance, the computer system comprising: a physiologically based pharmacokinetic simulation model of said insect for predicting pharmacokinetic behaviors, comprising predicting concentration/time profiles of the chemical substance, the physiological based pharmacokinetic simulation model being represented by a system of coupled differential equations, the differential equations describing the mass transport, the distribution, the metabolism and the excretion of chemical substances in said insect on the basis of the following substance-dependent parameters: rate coefficients for mass transport between the organs of said insect, organ/haemolymph distribution coefficients, metabolism rate coefficients, and excretion rate coefficients; a database containing physicochemical properties and experimentally determined substance-dependent parameters of chemical substances and further containing relationships, concentration/time profiles and coefficients required for the pharmacokinetic simulation model; a prediction module for calculating the substance-dependent parameters of the chemical substance to be studied, which are required by the physiological based pharmacokinetic simulation model, from at least one physicochemical property of the substance by means of the relationships stored in said database; an input/output module for the input of at least one physicochemical property of a chemical substance to be studied; and for the output of a calculated pharmacokinetic behavior of a chemical substance in an insect, comprising a simulated concentration/time profile of the chemical substance to a user of said computer system.