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Gears – QC Profiling

Automated LC-MS Quality Control of DNA Labeling Reactions

Effectively managing and assessing LC-MS data for the characterization and quality control of DNA Encoded Libraries (DELs) can pose a substantial challenge, especially as the library size expands.

QC Profiling is an automated solution designed to streamline the analysis and quality control assessment of reactions involved in DEL generation. This powerful plugin enables high-throughput processing, analysis, and reporting of LC-MS results. It serves to assess the composition of the reaction-generated DEL mixture, confirm the presence of desired product, and identify any impurities.

Input your worklist as a CSV file and configure the output according to your preferences. Obtain results swiftly and conduct efficient quality control with the intuitive color warning system integrated into the Viewer!

The simplest automated QC workflow for DNA Encoded Libraries for Drug Discovery

Software Solution for Chemical Reaction Optimization

This software easily multiplied our productivity by 3, greatly enhancing the reproducibility and drastically reducing the chance of human error

Roberto MartinezSenior Scientist - Novartis

Help & Resources

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QC Profiling

Benefits
  • Assess an unlimited number of samples without throughput limitations.
  • Boost data accuracy and reproducibility through automated processing and analysis.
  • Evaluate individual components or groups of components, understanding their influence on overall sample quality.
  • Increase confidence in your conclusions by streamlining the quality control process.
  • Focus your review on specific results, avoiding the need to sift through extensive data.
  • Make real-time adjustments: correct assignments, update input masses, and recalculate results instantly.
  • Decrease analysis times and mitigate the risk of human errors.

QC Profiling

Features

Flexible Input and Output Configuration

  • Incorporate and customize your input seamlessly using a CSV file. Add and organize input into groups, to facilitate the generation of comprehensive results for each group.
  • Leverage default templates for reporting the results or craft your unique report layout. Incorporate the specific columns you need into the CSV output for comprehensive reporting.

Robust and Customizable Analysis Algorithms

  • Streamline the process of deconvoluting spectra and matching the primary components of UV peaks.
  • Quickly identify and label noisy chromatograms for easy review and further action.
  • Exclude residual chromatogram peaks from purity calculations to ensure accuracy.
  • Identify UV peaks stemming from low molecular weight impurities that require exclusion from quantification, ensuring precise results.

Quality Control tests

  • Define your quality control criteria with precision by setting specific thresholds and associating distinct flag colors to each criterion, ensuring prompt flag generation when a quality test falls short.
  • Facilitate a swift and efficient review of results for enhanced productivity.

Streamlined Result Review and Reporting

  • Effortlessly review your analysis results within the Mnova interface. With the Mgears and the QC Profiling Result Viewers, you can conveniently access and assess all critical results on a single screen.
  • Visualize your results with colored charts and instantly spot control flags and warnings for efficient review by exception.
  • Append comments to your results and save them directly to the output CSV file.
  • Modify your analysis on-the-fly by adding or removing masses as you review the results and launch recalculations.

Academic, Government & Industrial

Markets

Who should be using QC Profiling?

  • Pharmaceutical, chemical industries, research, and QC environments
  • Process chemistry
  • Pharmaceutical compound libraries
  • Suitable for individual users, research groups as well as large institutions and companies