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In the Search Records window, you can define the search parameters of your query.
There are three ways of searching data in Web Librarian:
- Current Database Search
- Multi-Database Search
- Directory Search
The structural search can be conducted by:
- Exact Structure
- Structural Similarity
- Substructure
- Subreaction
- Exact Reaction
To enter data for structure or reaction searches, you can import your structure, or draw it in either ACD/Structure Drawing Applet or ACD/MolX. Web Librarian will display the query structure in the Main Search Form.
- Built-in ACD/Structure Drawing Applet allows you to load/save structure or reaction scheme as CambridgeSoft ChemDraw (CHM and CDX) or MDL (MOL and RXN) files.
Click image to magnify
- ACD/MolX, in conjunction with the desktop-based ACD/ChemSketch, provides you with advanced drawing capabilities.
Click image to magnify
After performing the Substructure Search, the searched fragment is highlighted in blue in all of the viewing modes: One Record, Tile, and Table View.
Current Database Search enables you to perform advanced spectral searches, in addition to the general searching parameters available in all of the search modes.
The list of auxiliary parameters depends on the database type. You can define your query to search by:
- Analytical Data Type
- Record Note
- Formula
- Formula Weight
- Spectrum Parameters and User Data (including use of Boolean operators)
- Peak Parameters
- Chemical Shifts
- Coupling Constants
- Name
- Reference
- Note
- Mass
- Solvent
- Technique
Additional search types are now available, such as:
- Spectral and Chromatogram Similarity Search
- Adjustable Multiplet Search.
- Multistage reaction schemes support includes search by current reaction and subreaction.
- MASS, 1DNMR, and CHROM data can be searched by Peaks.
- Search by User Data in internal ACD/Labs databases.
Presented below are the examples of searching parameters used for the Current Database Search:
With Multi-Database Search capabilities, you can use Web Librarian to search data in several databases without opening any of them.
Before our 8.0 release, it was not possible to start a search by multiple databases without defining the list of databases. The Directory Search allows users to scan records and databases in a specified directory, without choosing specific files.
Search using ACD/Labs desktop products
A special add-on allows users to utilize the ACD/ChemSketch and ACD/SpecManager modules to perform structural and spectral searches within Web Librarian.
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