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Method Selection Suite

Develop Chromatographic Methods Faster with Prediction and Optimization Software

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Method Selection Suite Overview

Your Method Development Toolbox

ACD/Method Selection Suite is your software assistant for LC and GC method development. When you want to develop methods using Quality by Design (QbD) principles, and make every experiment count, reach for Method Selection Suite to:

  • Choose your starting conditions and columns
  • Simulate separations under new conditions
  • Optimize your chromatography with 1D, 2D, or 3D models
  • Predict the retention times of new compounds
  • Database successful methods for future use
Benefits

Have More Confidence in Your Development Process

Start development with well-chosen conditions

  • Choose a pH, solvent, and temperature that makes sense for your compound by predicting pKa, LogD, boiling point, and more.

Screen a full set of columns

  • Explore a range of chemistries by using the Column Selector to pick orthogonal columns and find the most effective retention mechanism.

Optimize methods with fewer experiments

  • Minimize experiments by using simulation to determine how the chromatogram would look under different conditions.
  • Find the optima in a few clicks.

Produce 3D models that fit reality

  • Optimize in 1D, 2D, or 3D.
  • Ensure the model fits your experiments by customizing the modelling equations.

Increase chances of method robustness

  • Get better chances of passing robustness tests by starting with a rational approach and visually understanding your design space.

Your dashboard for method optimization.

How it Works

Rational, Reproducible Steps

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  • 1 Predict the physicochemical properties of your compounds (pKa, logD, boiling point, and more). Use that information to select starting conditions.
  • 2 Choose columns to screen with the Column Selector.
  • 3 Run some initial experiments with the conditions above.
  • 4 Use this initial data to model your separation.
  • 5 Find the best conditions for your method.
Customer Reviews
“Without Method Selection Suite a lot of the students wouldn't understand chromatography very well. I’ve been using it in teaching Postgraduate courses for more than 10 years. They can investigate separation thoroughly in silico and then see the match with experimental labs. It gives them confidence in their abilities.”

Mel Euerby
University of Strathclyde, Visiting Professor

Product Features

Features of Method Selection Suite

  • Predict physical properties from chemical structures
    • pKa, boiling point, logP, logD (for any pH), adsorption coefficient, bio-concentration factor, density, freely rotatable bonds, H-bond donors and acceptors, index of refraction, molar refractivity, molar volume, molecular weight, parachor, polar surface area, polarizability, and surface tension
  • Graph logD and percent ionization vs. pH to find the best pH for development
    • See ‘good’ vs. ‘bad’ pH regions on color-coded plot
Deployment/Integration Options

Compatible with All Your Instruments and Techniques

  • JEOL
More Reasons to Use Method Selection Suite

Why Take a Software-Assisted Approach to Method Development?

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Method development by trial and error can result in many wasted experiments. (And it’s incompatible with QbD principles.) By taking a rational approach, you can be confident of getting a good separation in a reasonable time, and justify your approach to others.

Software helps you with a logical approach by predicting physicochemical properties, calculating modelling equations, and optimizing. It also helps you share your results through shared databases, so your entire team can understand your project.

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What's New!

What's New in Method Selection Suite v2024

  • Optimize solvent mixtures by defining primary organic phases and those to be mixed
  • Improved visualization of Resolution and Suitability Maps with consistent coloring for failed calculations
Learn More about Method Selection Suite