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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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Building and Understanding Predictive Models

Building and Understanding Predictive Models 

 

Whether you call it model fitting, data mining or machine learning, JMP Pro has tools for you. JMP Pro makes it easy to build a variety of models all at once in Model Screening, and determine the best type of model for your problem, easily compare different models, and organize models and output models in C, Python, Javascript, SQL, and SAS.  Discover how to use the JMP’s decision tree methods, JMP’s Generalized Regression platform that uses modern regression techniques with penalized methods, and Neural Network platforms to perform data mining and root cause analysis.  

This is part of the Get Going with JMP series.

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