Automated Chemometrics Prediction Software
Doing exploratory data analysis and building an effective model may be a great way to get a publication, but it doesn’t actually improve the bottom line unless it is put into routine use. Here, the integration with instruments, other software or process monitoring and control hardware becomes key. Infometrix released a product about 30 years ago to simplify this step; called InStep™. InStep 5.0 provides the ability to take a Pirouette model, integrate it into a method or a procedure, and put it to use right away. The software is designed to be integrated into a method or a process by either using a watched folder or being explicitly called on a command line. Methods and Reports are developed through an intuitive form-based interface. Hierarchical prediction strategies are possible, and functioning example methods included with the package demonstrate method concepts. Reports can be configured to include only the predicted values or a suite of prediction diagnostics and can be written to individual files or accumulated in one master file. We also open up all of our computational capabilities through the Infometrix Product Access Kit (IPAK) so that integrators and software developers can access all of the chemometrics functions in their own software. Examples of these integrations abound spanning product offerings from Agilent, Bio-Rad, ChromPerfect, GeoMark, Northwest Analytics, PerkinElmer, SemiLab, Siemens and many others. Custom systems have been prepared for the clinical analysis of tuberculosis by the Centers for Disease Control and in the evaluation of food products by the Food and Drug Administration.
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