To Download: Click Here
Xternal Validation Plus 1.2 [Last Updated on 13 April 2016] is a tool which computes all the required external validation parameters, while further it also judges the performance of prediction quality of a QSAR model based on the MAE-based criteria. Optionally, it also checks the presence of systematic errors in the model.
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 consists of library files required for running the program. Check the format of test set input file (.xlsx/.xls/.csv) before using the program (sample file is provided in Data Folder). *Manual is provided in the program folder.
File Format: [First column] Observed Response Values (Test set only), [Second Column] Predicted Response Values (Test set only).
Reference Articles for Xternal Validation Plus Tool
Roy K, Das RN, Ambure P, Aher RB, "Be aware of error measures. Further studies on validation of predictive QSAR models." Chemom. Intell. Lab. Sys.,(2016), 152, 18–33. doi:10.1016/j.chemolab.2016.01.008 (Click here).
Send your feedback at : Prof. KUNAL ROY <kunalroy_in@yahoo.com>
Drug Theoretics and Cheminformatics (DTC) Laboratory,
Jadavpur University, Kolkata, INDIA
Software Developer and Website designed by: Pravin Ambure <ambure.pharmait@gmail.com>