Embedded Files
To Download:
MLR version: Click Here
PLS version: Click Here
This tool judges the performance of consensus predictions and compares them with the prediction quality obtained from the individual (MLR or PLS) models
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 sets input files (.xlsx/.xls) before using the program (sample files are provided in Data Folder).
File Format: Compound number (first column), Descriptors (Subsequent Columns), Activity/Property (Last column)
Reference
Roy, Kunal, Pravin Ambure, Supratik Kar, and Probir Kumar Ojha. "Is it possible to improve the quality of predictions from an “intelligent” use of multiple QSAR/QSPR/QSTR models?." Journal of Chemometrics 32, no. 4 (2018): e2992.
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>
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