ACD/AutoChrom
Additional Capabilities
ACD/AutoChrom combines instrument control with ACD/Labs tools for databasing, sharing, processing, and optimizing chromatographic applications (HLPC, GC, CE).
- Design your method development strategy, and AutoChrom will automatically generate method sequences for:
- Agilent ChemStation
- Waters Empower 2 Software
- Use the Method Development Assistant to guide your method development project, and suggest the next experiment based on ACD/LC Simulator optimization
- Screen columns, buffers, and solvents. Automatically track peaks between injections, and select the best result.
- Systematically optimize method parameters, including stationary phase selection, reverse phase and normal phase solvent components, multi-step gradients, temperature, and more, providing more efficient method development resulting in faster, more robust separations.
- Transfer data seamlessly from experiment to prediction. The ability to import chromatograms directly from the instrument means that you do not need to type retention times. Data transfer is convenient and accurate.
- Process and collate many types of chromatographic data, including:
- LC/MS
- LC/UV (PDA, DAD)
- Single UV-wavelength chromatograms
- Automatically match peaks between injections, or between runs, based on spectral similarity
- For LC/UV datasets
- For LC/MS datasets
- Manage and summarize your method development project:
- Manage your project, not your samples. See a dashboard overview of your project, and dig down into the original data when necessary
- View a collapsible Table of Peaks which summarizes your injections
- Manage and summarize composite samples, and visualize composite chromatograms
- Store your experimental data and LC Simulator predictions in one place, to quickly understand the rationale behind your experiments
- View chromatograms and UV-spectra or mass spectra alongside your peak tables
- Easily communicate results with your colleagues. After you have optimized the separation, you will have a simple, inclusive file containing an assigned chromatogram with method, chromatographic data, and chemical structures. You can now e-mail this file to colleagues or store it in a database for future use
- Share your databases so that many labs within the same organization can share separations in a searchable, useful fashion. Build a company-wide repository of chromatographic knowledge
Database Capabilities
- Build a database of in-house methods, complete with method parameters, chromatograms, and chemical structures.
- Share your databases so that many labs within the same organization can share separations in a searchable, useful fashion. Build a company-wide repository of chromatographic knowledge
- Retrieve previous separation methods from the ACD/Chromatography Applications Database, or your own database of separations:
- Perform a simple structure, substructure, or structure similarity search of the database to retrieve methods for compounds similar to those in your sample.
- Perform a Chromatographic Smart Search to not only retrieve separations of similar compounds, but also to estimate the retention times and evaluate the suitability of the found separations for your novel compounds.
- Additionally, search the database(s) by method parameters, or other user data.
- Chose a stationary phase on the basis of the chemical structures of analytes.
- Predict retention times so that archived separations can be evaluated and modified before the first injection.
- Optimize for pH based solely on analyte structure. Accurate structure-based pKa prediction algorithms are incorporated into ACD/LC Simulator.
ACD/AutoChrom includes:
Please refer to the specific product descriptions for further detail.
Product Integration
ACD/AutoChrom is fully integrated with ACD/SpecManager, which allows you to store all chromatographic and spectral data (MS, NMR, IR, UV-Vis, etc.) together in one database and view/retrieve data within one interface.
ACD/Method Development Suite is also available for chromatographers who wish to work with their method development projects offline, away from the instrument computer, and for customers who use Chromatography Data Systems (CDS) other than Empower 2 software or ChemStation.
ACD/AutoChrom also features enhanced integration with ACD/LogP DB: experimental chromatographic data can be transferred into an ACD/LogP database for training, transforming retention times into logP/logD values.
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