Method Selection Suite

The Method Selection Suite is a comprehensive software solution designed to assist in the development of liquid chromatography (LC) and gas chromatography (GC) methods. It leverages Quality by Design (QbD) principles to ensure that every experiment is meaningful and contributes to method optimization.

This software allows users to choose starting conditions and columns, simulate separations under various conditions, and optimize chromatography using 1D, 2D, or 3D models. It also predicts retention times for new compounds and stores successful methods for future reference.

Key Benefits

• Confidence in Development: Screen a full set of columns to explore different chemistries and find effective retention mechanisms.
• Experiment Reduction: Use simulations to minimize the number of experiments needed to find optimal conditions.
• Robustness: Increase the likelihood of passing robustness tests by understanding your design space visually.

The software provides a dashboard for method optimization, allowing users to predict logD for each pH and work within optimal pH regions. It simplifies peak tracking with a peak-matching algorithm and helps select columns using radar graphs.

How It Works

1. Predict physicochemical properties of compounds to select starting conditions.
2. Use the Column Selector to choose columns for screening.
3. Conduct initial experiments with selected conditions.
4. Model the separation using initial data.
5. Determine the best conditions for your method.

Features include predicting physical properties from chemical structures, visualizing pH regions, and comparing columns using radar graphs. The software also supports importing and analyzing chromatographic data from various vendors, assigning chemical structures to peaks, and automating common processing steps.

Separation Optimization

• Optimize LC parameters like pH, temperature, and solvent ratio using 2D and 3D models.
• Define suitability criteria for run time and resolution to achieve desired separations.
• Visualize suitability criteria across the design space with interactive maps.

The software is compatible with a wide range of instruments and techniques, facilitating a rational and reproducible approach to method development. It supports sharing results through databases, enhancing team collaboration and understanding.