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Automated Materials QSPR model building

Input should comma or tab separated files.
Please don't mix-and-match separators!
See documentation below for more information.
Training File

Testing File

Model Refinement Options.
Defaults are pre-selected
 
R-squared Cutoff for Intercorrelated descriptors (0...1)
 
Scaling Method
 
Outlier Thresholding / Removal
 
Thresholding Method
 
Number of Clusters
 

 

Feature Selection

 
Only Perform Sensitivity Analysis Feature Selection
Number of Iterations of Feature Selection:
Percentage of Dataset Kept With Each Iteration:


Documentation

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