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Try the Materials Informatics Toolkit, which is designed to easily handle SMILES data. This and other helpful add-ins are available in the JMP® Marketplace
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Using Partial Least Squares: When Ordinary Least Squares Regression Just Won’t Work

Published on ‎11-07-2024 03:28 PM by Community Manager Community Manager | Updated on ‎11-07-2024 05:38 PM

 

See how to:

  • Understand when and why PLS is useful as well as the advantages of the PLS implementation in JMP Pro over that in JMP

 

See how to:

  • Use consumer ratings to identify product attributes to help guide new formulation and design processes
    • Employ leave-one-out cross-validation,
    • Examine and interpret  Root Mean Press; NIPALS Fit x and y scores for a single latent factor; Diagnostic Plots; and VIP vs Coefficients Plots.
    • Use Prediction Profiler to maximize desirability.

 

See how to:

  • Create a model to evaluate the levels of three different compounds in spectral emissions of water samples
    • Use Model Comparison summary to see how x and y scores correlate and to identify which variables explain variation
    • Save prediction values to the data table, to make the model useful if new observations are added

 

See how to:

  • Use Discriminant Analysis in a dataset that includes over 10,000 gene expression characteristics from a study of 230 individuals
    • Determine if genetic expression information can be used to accurately classify estrogen receptor status
    • Explore missing values; interpret ROC curves; and examine misclassification, false positives and false negatives

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Start:
Thu, Aug 13, 2020 02:00 PM EDT
End:
Thu, Aug 13, 2020 03:00 PM EDT
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