Spectrus DB: Key Features

Spectrus DB offers a single environment to help unify chemical and analytical data. It retains the human interpretation of analytical data and preserves chemical context, converting data into knowledge and intelligence. The information can be easily accessed by a variety of search criteria including structure, text, and spectral elements.

Supported Data Types

  • Reactions
  • Synthetic sequences
  • Biological and toxicological information
  • Descriptive textual notes
  • Batch and project IDs
  • Analytical data
  • Storage of, or links to, associated documents (.doc, .xls, .ppt, .pdf, .txt, and more)
  • Import data from the ACD/Percepta platform

Enterprise-level Features

  • Segregate data by project within databases, and control user access
  • Define access levels for individual users or groups of users, restricting viewing, adding, deleting, and modification functions for databases, records, projects, components within reactions, and attached files
  • Organize chemical reactions and easily map complex pathways
  • Search local and remote databases
  • Multi-user access through client-server architecture
  • Based on a 3-tiered architecture consisting of Client, Application server, and Database server levels. Spectrus DB can operate in two modes:
    • Local mode for offline work, accessing and storing information from the local desktop database only
    • Remote mode for connection to a remote database via the database server

Database Records

  • Import data from many data file formats
  • Create calculated User Data fields using mathematical and logical operations on data in other fields
  • Manually or automatically create reaction maps for complex chemical processes and multi-step reactions
  • Store single and multi-step chemical reactions

Data Entry and Manipulation

  • Standardize data entry forms with mandatory fields, drop-down lists, or check boxes that are set to your specifications
  • Set criteria to validate data input on forms
  • Merge, intersect, or compare databases
  • Customize and extend the functionality of your database with the add-on organizer and scripting functionality

Search Features

  • Search multiple data fields simultaneously
  • Save complex search queries for applying the same search in other databases
  • Store your Search History, and set Search History files as Macro buttons on the toolbar
  • The audit trail (Search History) for complex searches keeps information about performed searches and is used to perform similar searches in other ACD/ChemFolder databases
  • Query multiple databases at the same time
  • Search by:
    • Molecular structure (exact/substructure/similar)
    • Markush structure using query atoms and bonds
    • Peaks, spectra, or other spectral/chromatographic elements
    • Text or numerical values
    • Formula weight or range
    • Spectral searching capabilities (peak/exact/similar)


  • Print reports directly from the screen form
    • Create Microsoft Word documents
    • Export to Adobe PDF
    • Create report as *.sk2 files
    • Create custom data layouts

Learn more about Spectrus DB: