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AutoChrom®

Method Development Software for the Chromatography Expert

Accelerate your chromatography research and development.

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AutoChrom

Trusted by Companies Worldwide

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Develop Chromatographic Methods in Less Time

AutoChrom streamlines method development from start to finish using QbD principles and a structured, workflow-based approach. Spend less time on manual processes and more time on science. 

Start Smart—Begin with reasonable starting conditions and columns. Guided software wizards and assistants help define and implement your strategy from the outset. 

Automate and Optimize—Automatically run experiments for screening and optimization, then model your separation in 1D, 2D, or 3D

Capture and Learn—Document the reasons for your decisions and database your projects for future learning

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Benefits

Tools for Method Development and Project Management

Take a strategic approach

  • Start your project by predicting compound properties and building a development strategy
  • Work through the steps logically and move closer to optimization with every experiment

Manage your project from start to documentation

  • Document your decisions for data integrity
  • Store the workflow alongside the experimental data and solutions
  • Upload everything to a searchable database so your team can find it again

Automate screening and optimization trials

  • Walk away, and AutoChrom Online will run your experiments automatically according to your strategy

Find optimal conditions by simulation

  • Optimize your separation in 1D, 2D, or 3D with color-coded resolution and suitability maps

Algorithmically track peaks between runs

  • Track a compound across multiple chromatograms by UV or MS spectra, with help from AutoChrom’s algorithms

Reduce unnecessary experiments

  • Cut down on experiments and development time with simulation and computer-assisted modeling
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Industry Insights | Where Science Meets Strategy

eBook

Master Method Development with Smarter Software Strategies

Discover software strategies that help analytical scientists optimize method development, improve efficiency, and accelerate decision-making. This eBook explores how automation, data management, and intelligent workflows can streamline chromatography method development—enabling laboratories to reduce manual effort, increase reproducibility, and achieve faster, more reliable results.

Read Now
Webinar

Accelerate Chromatographic Method Development with Software Automation

This webinar explores how Corteva Agriscience leveraged software-assisted workflows to simplify and accelerate their chromatographic method development. Scientists were able to optimize methods, reduce experimental effort, and improve efficiency through automated design, prediction, and analysis. 
Learn how intelligent tools support faster, more robust method development and help labs achieve reliable results sooner.

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How it Works

Turn Chromatography Data into Optimized Methods

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Features of AutoChrom

    Strategy Building
    • Build a screening, optimization, and robustness-study workflow
      • Set parameters (solvent ratio, column, pH, gradient, temperature, and more) and levels to be screened and optimized
      • Automatically generate a corresponding list of experiments
    • Move through workflow waves with direction from workflow assistant
    Direct Instrument Control with AutoChrom Online
    • Automatically execute experiments from AutoChrom by connecting to Agilent ChemStation, Agilent OpenLab CDS, and Waters Empower 2 & 3
      Is my hardware compatible?
    • Get suggestions for the next experiment to perform when necessary
    Modelling and Optimization

    Modelling

    • Simulate a resolution map of the entire DoE space in 1D, 2D, or 3D
      • Customize equations for the best fit—linear, polynomial, inverse, or logarithmic
      • View color-coded and interactive resolution maps
      • Rotate maps and zoom in; scroll through slices of 3D maps and break out into interactive, interlinked 2D plots for a finer view
    • See simulated chromatograms to view how compounds will separate under modeled conditions
    • Evaluate modeling accuracy by comparing experimental and modeled results
      • See overlay of color-coded chromatograms
      • Auto-generate goodness-of-fit plot
      • Poor retention-time matches are immediately flagged in red

    Separation Optimization

    • Optimize key LC separation parameters, including pH, temperature, gradient, solvent ratio, and flow rate
      • Optimize combinations of parameters using 2D and 3D models
      • Define your own suitability criteria for run time, retention factor, and resolution, to get a separation that fits your needs
    • Optimize composite chromatograms containing all peaks from multiple samples (e.g., different time points of a degradation study), so your method works for all intended purposes
    • Visualize the suitability criteria across the design space using the suitability-limits map
    • Edit the gradient plot and see the simulated chromatogram update in real-time

    Retention-Time Prediction

    • Calculate prediction equation given several compounds separated experimentally
    • Predict retention times of new compounds under the same conditions (from behavior of structurally similar molecules)
    Data Import and Processing
    • Transfer your data automatically with AutoChrom Online, or import and analyze data from many different instrument vendors
      Review the list of supported formats
    • Use the Processing Wizard to speed up processing
    • Assign chemical structures to peaks in your chromatograms
    • Employ intelligent peak detection
    • Correct peak picking and integration with manual tools as needed
    • Correct baseline and deconvolute unresolved peaks
    • Track peaks between chromatographic runs using UV or MS spectra
      • Define known target compounds to increase peak-assignment efficiency
    Robustness Studies
    • Automatically generate a list of iterative experiments for robustness testing
      • Vary parameters including flow rate, temperature, gradient, pH, buffer concentration, and solvent ratio
    • Evaluate experimental conditions through built-in integration with JMP statistical software
    Physicochemical Property Prediction
    • Predict pKa and logD (at any pH) from compound structure
    • Graph logD and percent ionization vs. pH to find the best pH for development
      • See ‘good’ vs. ‘bad’ pH regions on color-coded plot
    • Estimate the pH of common buffers using the pH calculator
    Column Selection
    • Look up Tanaka parameters of common columns
    • Calculate similarity factor between columns
      • Adjust similarity calculation with customizable weights for each Tanaka parameter
    • Find the most dissimilar columns from a user-defined list for column screening
    • Find the most similar column to any given column for column replacement
    • Visually compare columns on radar graphs and dendrograms
    Project Management
    • Manage your projects from the dashboard overview
    • View reconstructed UV and MS spectra alongside peak tables
    • Use interlinked windows to focus on peaks of interest while retaining information from the full dataset
    Databasing and Reporting
    • Store successful methods in searchable and sharable databases
      • Keep experimental and modeled data in one place for easy review
      • Save raw data alongside chemical structures and processing results
    • Search databased methods by compound structures, retention time, column, method details, 
      and more
    • Create reports in a few clicks to document your method-development project
      • Include development-strategy diagram, screening results, optimization results, structure assignments, method parameters, peak tables, annotations, and/or chromatograms
      • Modify the report template to suit your needs
    Multi-Technique Processing
    • Expand your analytical understanding by viewing data from different techniques side-by-side
    • Import data from NMR, MS, IR, and more
      Review the list of supported formats
    • Analyze data:
      • NMR: Fourier transform, calibrate, peak pick, integrate, and analyze multiplets
      • MS: Generate XICs, confirm molecular formulas, and screen spectra against spectral libraries
      • Optical techniques: Correct baselines, pick peaks, and smooth
    • Automate routine processing workflows

    Product Comparison

     

    Capability AutoChrom Third-Party Analytical Data Software (e.g. DryLab, ChromSword, Fusion) Instrument Vendor Software (e.g. Waters, Agilent, Thermo Fisher) 
    Vendor Neutral Method Development
    Vendor Agnostic CDS Data Connectors
    Method Optimization & Robustness
    Centralized Knowledge Management
    Structured AI/ML Ready Data

     

    Yes     Partial/Limited     No

     

    What Our Customers Are Saying

    “We had spent several months developing a method without successfully resolving a critical pair of peaks. Using the software we managed to generate a method that resolved those peaks in less than 48 hours”

    Erin Gemperline Dow AgroSciences

    “Reliability, robustness, and lifetimes of methods have improved, and at the same time we have reduced the loss of interpretation information and expensive retesting of samples...the QbD approach to method development aided by AutoChrom provides a return on investment within a short time.|

    Rudy Sneyers Janssen Pharmaceuticals

    Deployment/Integration Options

    AutoChrom Online vs. AutoChrom Offline

    AutoChrom Online integrates with selected chromatography data systems (CDSs) to automatically run your experiments from your design—no manual copying of parameters needed.

    AutoChrom Offline works with any instrument you might have. Get full access to all of AutoChrom’s method-development tools, while manually transferring your experiment parameters to your CDS.

    With or without direct instrument control, AutoChrom significantly reduces the time it takes to develop new methods.

     

    Compatible with All Your Instruments and Techniques

    See all supported formats

    AutoChrom FAQs

    Ready to Take the Next Step?

    Take a Tour

    See how AutoChrom can accelerate your method development. Unlock the power of streamlined workflows and AI-ready data.

    Request a Demo

    Talk to our Team

    Schedule a consultation with our experts to discuss your workflow, requirements, and implementation needs. 

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