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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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Can I get discriminant function scores or function coefficients in JMP®?

Yes. Discriminant analysis is available with the Analyze ► Multivariate Methods ► Discriminant menu selection. To get the discriminant scores, select Score Options ► Save Formulas from the red triangle menu in the results window.

Note that Formulas can also be saved out to the Formula Depot in JMP Pro by selecting Score Options ► Pulish Probability Formulas, where their functional form can be seen by selecting the ► Show Scripts option under the red triangle menu under Formula Scripts.

 

[Previously JMP Note 35273]

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