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
it is possible to perform this test but there is no built-in capability. (JMP provides many exploratory tools for identifying outliers but none of the popular outlier tests such as those by Grubbs, Dixon, or Rosner.) You can write a script to implement it and extend JMP. You can also use the R package with JMP and return the test results.
it is possible to perform this test but there is no built-in capability. (JMP provides many exploratory tools for identifying outliers but none of the popular outlier tests such as those by Grubbs, Dixon, or Rosner.) You can write a script to implement it and extend JMP. You can also use the R package with JMP and return the test results.
