R scripts for multivariate analysis Files

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RIVIVR v0.5
Author: Aleksander Mendyk
Chair of Pharmaceutical Technology and Biopharmaceutics
Faculty of Pharmacy
Jagiellonian University-Medical College
Medyczna 9 St
30-688 Kraków, Poland
phone: +48-12-6205-604
e-mail: mfmendyk@cyf-kr.edu.pl, aleksander.mendyk@uj.edu.pl
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RIVIVR is a new tool for a direct, convolution-based, correlation of dissolution profiles with their pharmacokinetic counterparts. It is based on the optimization approach where optimized parameters are points of numerically developed i.v. time-concentration curve (in silico i.v. profile) used for convolution of the PK profile representing p.o. administration of particular formulation. Once optimized on 2 or 3 available formulations, the in silico i.v. profile is used for convolution-based prediction of a new formulation PK profile based on the new dissolution profile, thus accounting for the external validation. 

The algorithm of RIVIVR execution is represented by following pseudo-code:
1. gather in vitro and in vivo data – at least 2 formulations with different release rates
2. step = 1
3. IF step = 1 THEN initialize artificial i.v. profile ELSE update artificial i.v. profile from p. 5
4. step  = step +1
5. modify artificial i.v. profile
6. convolve artificial i.v. profile with in vitro profile
7. compare convolved PK profile with its corresponding observed counterpart
8. compute prediction error 
9 IF error <= stop criterion THEN  exit ELSE go back to p. 3

It requires R statistical environment with GenSA package installed

First step is to edit config.R file where the comments describe meaning of the variables

Then run RIVIVR_v0.5.R (Linux users might try non-interactive run via local.sh script)

Please check "results" subdirectory for an example of the output, which this software provides

The data provided for testing purposes are artificial


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    This program comes with ABSOLUTELY NO WARRANTY
    This is free software, and you are welcome to redistribute it
    under certain conditions. Please find a LICENSE file to look 
    for a more detailed description of terms and conditions based on the 
    GNU GPLv3 license in the LICENSE.txt file
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