QSARINS Procedure
8/13/20 by Marvellous Ngongang
- Locate the QSARINS (QI) application on the desktop.
- Click on the QSARINS screen to proceed.
- To import data, select the icon “file” and click on import data.
- Select the file you want to import.
- If necessary, you can select the “exclude if constant” option or the “exclude if correlational.” If neither are necessary, then proceed to click on the icon “import.”
- Click on the icon “Analysis.” Then, click on “Data Setup.”
- Data setup
- Under variable setup i. Click on the first cell under the status column then select the icon “Select response.”
- Click on the second cell under status column. While holding down the shift button, then scroll down to the last cell and click on it while holding down.
- If necessary, select the “normalize var."
- Under Splitting setup, click on the “Training comp.” drop down and select number 4.
- Click on the “Prediction comp.” drop down and select number 1
- Select “ok.”
- Click on the icon “Analysis.” Then, click on “Variable selection and models calculation.”
- Select the “GA until” box and proceed with the standard numbers imputed. Then, select “Calculate.”
Click on the icon “View and select model” located to the left of “PBT Index.”
“View and select model”
Right click on the maroon colored cell and click on “Select all models”
Right click on the screen then click on “External model validation”
Right click on the screen then click on “Internal model validation”
Select “LMO,” “Y-scramble,” “Rand. Desc.,” and “Rand. Resp.”
Proceed with the standard numbers imputed. Then, select “Validate.”
Click on the icon “View selected model” below the “Sorted by” drop down.
Click on the icon “View experimental endpoint vs. Predicted by model equation” located to the right of the save button.
Click on the icon “ View Williams plot-Predictions by model equation.”
Change the Std. Dev. to 3.
Click on the icon “Y scramble.”
Select the “X min,” “X max,” “Y min,” and “Y, max” box. Change the “Y min” number to 0.