ACD/SpecManager

Key Capabilties

1. All-in-One Analytical Data Support: Accelerate critical evaluation and decisions through ACD/SpecManager's ability to provide outstanding access to multi-technique analytical data, structural interpretation, images, and history for each sample.
2. Interlinked Multi-Technique Repository: Seamlessly unites and interconnect data of different types: 1D and 2D NMR, Mass, UV-Vis, NIR, IR, and Raman as well as chromatograms or various experimental (XRPD, DSC, TGA, etc.) or calculated curves. A single database can include various types of curves and spectra searchable by chemical structure or substructure and a number of other parameters. Any record in the database may contain single or multiple curves.
3. Chemical Structure Intelligence: Enhance your spectral analyses through the tight integration of the spectrum and an active chemical structure. Spectral interpretations are assisted through algorithms which assign a structure or structure fragment to a particular region of the spectrum. Easily draw and attach organic, polymeric, inorganic, and organometallic compounds to spectra with the built-in structure drawing package: ACD/ChemSketch.
4. State-of-the-Art Reporting Tools: Reduce the time required to produce reports and publications by using ACD/SpecManager as a central reporting system and report editor. From creating standardized reporting templates, to cutting and pasting custom reports containing spectra, structures, tables, graphics, and more, this software eases the burden of creating a report.
5. Fast and Flexible Processing: Allow processing and data interpretation away from the instrument. ACD/Labs offers both standard and advanced, chemically- and spectrally- aware algorithms including time-saving chemometric tools, delivering increased homogeneity and training costs reduction.
6. Search, Find, Communicate, and Reuse Results Effectively: Avoid unnecessarily repeating experiments by building and using easy-to-search databases of legacy chemical and analytical data. A variety of analytical and chemical search and data mining algorithms make ACD/SpecManager a very powerful tool for finding research-relevant data. ACD/Labs databases can be accessed locally using desktop deployments, or remotely using server- or Web-browser-based technology through ACD/SpecManager Enterprise and ACD/Web Librarian.
7. Data Visualization: Critical evaluation of this data is helped through a variety of visualization and analysis tools to help you find trends. Different predefined or custom information layouts and application-specific screen forms let you view data from different perspectives. The Tile and Table views let you scan and interactively select pertinent database entries. Graphing tools let you discover data trends across database records. Sort tables according to the most relevant parameter(s).
8. Automation: Eliminate routine or repetitive processing and analysis of high-throughput and similar data. Group treatment tools are available in order to deal with large quantity of data at the same time. Multiple layout and input/output standardization forms, editors, and templates are built-in. Further customization can be accomplished via a variety of macro and scripting tools.
9. Integration with Spectral, Chromatographic, Naming, and Physicochemical Expert Systems: Computer-assisted interpretation, verification, assignment, and identification of analytical data are made possible through the synergistic integration of ACD/SpecManager with ACD/Labs predictors and simulators (if present). ACD/Labs offers the industry standard in NMR, PhysChem, and Naming prediction software, as well as offering the most advanced chromatographic simulation and optimization software on the market.
10. Third Party System Integration: Avoid locking data into separate information silos that are difficult to access. ACD/SpecManager explicitly integrates with many of the more popular modern data systems: MDL ISIS, Waters NuGenesis, Synthematix, and more.