RECCR Rensselaer Exploratory Center for Cheminformatics Research
Rensselaer Exploratory Center for Cheminformatics Research (RECCR)

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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:


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