The Rmsquare Calculator is a web based application for judging the quality of predictions of QSAR/QSPR models.


Some case studies on application of “rm2” metrics for judging quality of quantitative structure–activity relationship predictions: Emphasis on scaling of response data.

Kunal Roy, Pratim Chakraborty, Indrani Mitra, Probir Kumar Ojha, Supratik Kar,Rudra Narayan Das

Article first published online: 8 JAN 2013, DOI: 10.1002/jcc.23231. Journal of Computational Chemistry © Wiley Periodicals, Inc. Vol. 34 Issue 12, 5 May 2013, Pages i–iv, 987–1082

Chemstudio Link at Rmsquare page : ChemStudio

Citation: http://aptsoftware.co.in/rmsquare/

Use the "Browse" to navigate to your local folder and select a csv file containing values. The name of the file uploaded will be shown. Press "Upload" to load the file for analysis.

While making the csv file, please remember to keep the first line as title line as shown below, followed by list of values from next lines onwards. For example,






If you want to manually entered values, please Click Here

# Observed Predicted

Want to Calculate Rmsquare for Scaled Data :

Upload new CSV