Team:Paris/Modeling/Programs

(Difference between revisions)
 Revision as of 20:10, 15 September 2008 (view source)Hugo (Talk | contribs) (→Complexations Caracterisation)← Older edit Revision as of 20:11, 15 September 2008 (view source)Hugo (Talk | contribs) (→Finding Parameters)Newer edit → Line 21: Line 21: ==Finding Parameters== ==Finding Parameters== - Then, by solving the previous equations for a given set of ''K'' et ''n'', we can have a approximation of the equivalent ''Ceq''. The idea, in order to find the bests parameters which correspond to our measurements, is to run a basical program of quadratic optimisation. The final error would tell us if our modelisation is consistent. + Then, by solving the previous equations for a given set of ''K'' et ''n'', we can have a approximation of the corresponding ''Ceq''. The idea, in order to find the bests parameters which correspond to our measurements, is to run a basical program of quadratic optimisation. The final error would tell us if our modelisation is consistent.

Complexations Caracterisation

The first hypothesis is that a complexation reaction is fully determined by the following :

and that the rates k+ et k- stay constant under all conditions. Then, the second hypothesis is that these equations are (kinetically speaking) elementary :

Then, since we guess that the only datas we will have are the quantities of A and B introduced (Ai and Bi), the only equations we will deal with is the following, entirely determining the concentration Ceq at steady-state (at least if we take the smallest real root of the equation, it is useless to demonstrate the unicity, or even the existence, of such a solution) :

Finding Parameters

Then, by solving the previous equations for a given set of K et n, we can have a approximation of the corresponding Ceq. The idea, in order to find the bests parameters which correspond to our measurements, is to run a basical program of quadratic optimisation. The final error would tell us if our modelisation is consistent.

((((the following is not coresponding to the new model, but we will use the same frame to expose the corresponding program)))))

(((((((This program aims at fill this data bank, from experimental data obtained by our wet lab. )))))))

(((((( After some trials, we have obtained interesting results in terms of precision. We are now trying to test the robustness of the estimations in order to quantify the influence of biological variance in the results as well as the influence of the number of points available. ))))))))

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(((((( The corresponding code can be found there : Estimation of the parameters )))))))