To download (MLR version): Click here
To download (PLS version): Click here

The present tool “Prediction Reliability Indicator” is developed to indicate or categorize the quality of predictions for the test set (Known experimental response) or external (unknown experimental response) sets into three groups: good (with composite score 3), moderate (with composite score 2) and bad (with composite score 1).

To Download and Run the Program

Click on the download link above (it will direct you to google drive) and then press "ctrl + S (Windows) or cmd+S (Macs)" to save as zip file. Extract the .zip file and click on .jar file to run the program.

Note: The program folder will consist of three folders "Data", "Lib" and "Output". For user convenience, user may keep input files in "Data" folder and may save output file in "Output" folder."Lib" folder consist of library files required for running the program. Check the format of training and test/external sets input files (.csv/.xlsx/.xls) before using the program (sample files are provided in Data Folder and sample files are also shown under 'Snapshot' tab). 

File Format: Compound number (first column), Descriptors (Subsequent Columns), Activity/Property (Last column)

Reference

Kunal Roy, PravinAmbure and Supratik Kar. How precise are predictions from our QSAR models for new query compounds? ACS Omega, 20189, 11392-11406. DOI: 10.1021/acsomega.8b01647