Simulator
CPC Simulator
From solvent system selection to scalability insights: Predict, optimize, and visualize CPC separation with the CPC Simulator to bring precision and efficiency to your purification workflow.
The CPC Simulator functions as a similarity-based in silico search engine for identifying the most suitable solvent system for your compound of interest (CoI) and simulates separation outcomes without the need for costly solvent system screening (e.g., shake-flask methods), HPLC measurements for Kd determination, or CPC test runs. The database behind it is based on thousands of data, the user only needs to provide information about the CoI and impurities, but input such values as loadability, operation mode, partition coefficient of the COI, selectivity, recyclability, solubility, and operating conditions can also help to simulate precisely the CPC run, generating a detailed chromatographic profile. The Simulator provides also a visual representation of the in silico separation according to user-defined parameters. The CPC Simulator is a part of the CPC Modeler, which includes a Benchtop CPC unit and additional peripherals such as a fraction collector.
The CPC Simulator is user-friendly, in-house–developed tools designed to help customers identify the most suitable chromatographic method for their CoI in a time- and resource-saving way. They are valuable tools to support decision-making and scalability insights, backed by a high-quality data library. The CPC Simulator is free to use, all you need to do is register. It does not store any data, so the values you enter during the calculation are safe.
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| Key Features | Benefits |
|---|---|
| Efficient solvent system and purification method development for CPC. | Quick and cost-effective computational testing instead of slow and expensive experimentation. |
| Requires only two input parameters: partition coefficient and crude composition. | Comprehensive, evolving data library maintained by chemists and chemo-informatics experts. |
| Enables modeling, testing, and optimization of purification performance. | Accurate prediction of elution profiles and standard chromatographic parameters, including retention times, volumes, peak width, theoretical plate numbers, and resolution. |
| Thousands of compounds can be tested in silico to guide future directions. | Supports decision-making and scalability assessments, especially when combined with the TCO Calculator for economic feasibility validation. |
| Access to a curated library of ~16,000 entries from scientific literature and in-house research, including ~2,000 compounds with CPC-relevant data. | Reduces experimental risk while accelerating method development and process scale-up. |