File Exchange > Data Analysis >    Drug Dissolution Analysis

Author:
OriginLab Technical Support
Date Added:
10/14/2021
Last Update:
11/17/2021
Downloads (90 Days):
51
Total Ratings:
0
File Size:
296 KB
Average Rating:
File Name:
Drug_Disso...is.opx
File Version:
1.00
Minimum Versions:
License:
Summary:

Compare two groups of dissolution data, fit or compare models for dissolution data.

Screen Shot and Video:
Description:

PURPOSE
This app can be used to compare two groups of dissolution data, fit or compare models for dissolution data.

INSTALLATION
Download the file Drug_Dissolution_Analysis.opx, and then drag-and-drop onto the Origin workspace. An icon will appear in the Apps Gallery window.
NOTE: This tool requires OriginPro.

OPERATION
Click the Drug Dissolution Analysis icon in the Apps Gallery window. A toolbar with two buttons will appear: Compare Dissolution Data and Fit Dissolution Data.

  • Compare Dissolution Data

    1. Click Compare Dissolution Data button. In the opened dialog's Input tab, choose a column for Time data, columns for Reference Data (%) and columns for Test Data (%). Note that number of columns and number of rows for reference data and test data must be same. Reference data and test data should be percentage data.
    2. In the Pairwise Comparison tab, check Difference Factor (f1), Similarity Factor (f2), and Rescigno Index check boxes to determine whether to calculate f1, f2 and Rescigno index.
    3. In the Confidence Region tab, set Confidence Level (0-1) and Max Difference of Mean Fractions (%), and the latter will be used to calculate the max Mahalanobis distance for comparison.
    4. In the Chow and Ki's Method tab, set values to Confidence Level (0-1), Q Value (%), and Difference in Mean Dissolution (%). Check Relative Mean Dissolution Plot check box to create the graph.
    5. Click OK button to close the dialog. A report sheet will be created.
  • Fit Dissolution Data

    1. Click Fit Dissolution Data button in the toolbar. In the opened dialog, choose XY data as Input Data. XY data can include multiple Y columns.
    2. In the Select Functions branch, choose Type for multiple XY data, two options are available: Separate Fit and Concatenate Fit. Separate fit option will fit each XY data separately with the chosen function in Function drop-down list, and calculate the mean and standard error for fitted parameters and derived parameters from these fits. Concatenate fit will fit all XY data concatenated as one curve with chosen functions in Functions list separately, rank models, find the optimal function (marked in a red color) by BIC and create a fit report for the optimal function.
    3. In the Fit Control group, set Max. Number of Iterations and Tolerance to control the fitting process. If Fit Status column in the output sheet shows fit failed for data in Separate Fit or a function in Concatenate Fit, adjust these two options and fit may succeed.
    4. Click OK button. A Workbook with three sheets will be created. For Separate Fit type, the first sheet lists the mean and standard error for fitted parameters and derived parameters, and goodness of fit for each data. And the second and third sheets include fit report for each data with the chosen function. For Concatenate Fit type, the first sheet lists ranking models result and the second and third sheets include the fit report for the optimal function.
    5. Fit Dissolution Data can also be used to compare two groups of data. Use Fit Dissolution Data to fit two groups of data separately, then use Hotelling's T-squared Test app to compare fitted parameters for two groups of data.

Fitting Functions

Fitting Functions in Fit Dissolution Data
Function Formula fdf Name Description
FirstOrder \(y=100(1 - e^{ -kx })\) DDA_FirstOrder First order reaction model
Gompertz \(y = 100 e^{- a e^{ -b \ \text{ln} (x)}}\) DDA_Gompertz Gompertz model with two parameters.
GompertzMod \(y=Ae^{ -b e^{ -kx } }\) DDA_GompertzMod Modified Gompertz function with three parameters.
Hopfenberg \(y = 100( 1 - (1 - ax)^b )\) DDA_Hopfenberg Hopfenberg model with two parameters.
Logistic \(y = \frac{100}{ 1 + e^{-(a+b \ \text{ln} (x))} }\) DDA_Logistic Logistic function with two parameters.
Probit \(y = 100\Phi( a+b \ \text{ln}(x) )\) DDA_Probit Probit model with two parameters.
Weibull \(y = 100( 1 - e^{ - \frac{x^b}{a}})\) DDA_Weibull Weibull cumulative distribution function with two parameters.

Sample OPJU File
This app provides a sample OPJU file. Right click on the Drug Dissolution Analysis icon in the Apps Gallery window, and choose Show Samples Folder from the short-cut menu. A folder will open. Drag-and-drop the project file DDAEx.opju from the folder onto Origin. The Notes window in the project shows detailed steps.
Note: If you wish to save the OPJU after changing, it is recommended that you save to a different folder location (e.g. User Files Folder).

Reference

  1. Y. Zhang, M.R. Huo, J.P. Zhou, A.F. Zou, W.Z. Li, C.L. Yao, S.F. Xie. DDSolver: An Add-In Program for Modeling and Comparison of Drug Dissolution Profiles. AAPS J. 2010 Sep; 12(3): 263–271. doi: 10.1208/s12248-010-9185-1.
  2.  Algorithm (Comparing Fitting Functions)

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