ACD/Web Librarian

What's New

Version 10.0 to 11.0

Database Tab Features

• Overlay a selected reference spectrum or chromatogram against database records of the same type to enable easy comparison
• Selectively display records of a given analytical data type that have a specified metadata field value
• Review all structures in a record in Tile View, enabling better overview of eluting species in a chromatographic run

Usability

• Easily configure Web Librarian within the Microsoft Internet Information Services, using a new configuration manager interface
• Web Librarian login/password can be used for opening ACD/SpecManager Enterprise databases automatically

For extanded details, contact your Account Manager or Distributor.

Version 9.0 to 10.0

The fundamental change in ACD/Web Librarian version 10 is the shift in technology from our proprietary web server implementation to a Microsoft® .NET implementation. This switch to a new architecture is expected to enable greater scalability with respect to the number of simultaneous users of this web browser-based application, and direct connection to ACD/Labs’ back end databases and information repositories. While this transition is a large software development challenge, the functionality and look-and-feel of the software is expected to remain the same, and mimic what we had in our previous Web Librarian releases.

Version 8.0 to 9.0

Key new features of the new release include:

• Convenient display of hyphenated data such as LC/MS allows users to dynamically scroll through the dataset and view individual scans;
• Support of ACD/SpecManager functionality that links together various spectral data with individual chromatographic peaks to bring together all of the analytical results for easier interpretation and decision making (described earlier)
• Display of images associated with the chemical record;
• Display of predicted and experimental C,HNMR data for a given structure to simplify verification;
• Ability to export raw spectral data associated with the record to ACD/Labs desktop processing tools for re-processing and review, and
• Overall enhancements to the IT administration and software interface (plate view, zoom function, and more).

Version 7.0 to 8.0

ACD/Web Librarian, now available as version 3, software release 8.0, was first introduced in 2002, but has already established itself as a mature product for laboratory- and enterprise-wide analytical data integration and deployment. Below is a brief summary of the new features of Web Librarian:

Analytical data viewing is enhanced by numerous additional options, among them:

• Database Tree window to review the in-depth contents of a particular record;
• Additional Graph window for enhanced analysis of database statistics; and
• Filters Tree window displaying the results of consequent searches.

Combinatorial Chemistry support is expanded further in the 8.0 release. It includes an enhanced Combi Plates view with Virtual Plate View available for all types of databases. Numerous improvements for the Plates view include customizable views of the combinatorial plate.

Search options are expanded further to offer:

• Spectral and Chromatogram similarity search
• Multiplets search
• Search by record IDs, in addition to the existing "go-to record number" browsing;
• Additional search options for Mass Ion, 1D NMR, and Chromatography peaks;
• Search by Chemical Shifts and Coupling Constants for all NMR user and internal databases;
• Search by User Data in ACD/Labs databases;
• New Multiple Database Search Capabilities;
• Directory Search within specified directories, without a predefined database list;
• Search by structure in multiple reports, files, and databases on your computer or network; and
• List manipulations to add, subtract, intersect, switch, and merge groups of records.

Improvements in handling of the reaction databases include:

• New Current Reaction and Subreaction search functions to retrieve reaction components;
• Support of Multistage reactions to ensure that different, relevant data is displayed with a change of the selected reaction or component; and
• Viewing of Spectral and PhysChem Properties for the components in multi-component reactions.

Additional file formats are supported for browser-based viewing, such as ADC/Labs .esp files (spectral and chromatography files), and reports in ACD/ChemSketch, Microsoft® Word, or Adobe® Acrobat (please refer to the complete list of supported formats in the Web Librarian product description). Also, import and export of ChemDraw .chm files was added. The Web Librarian layout is determined by the type of the imported file (i.e., .doc, .mol, .sk2, etc.) to reflect the differences in the file content.

New Reporting and Data Export options include:

• Export current dataset to SDfile (spectra excluded);
• Create reports in chemically intelligent ACD/ChemSketch format;
• Create reports for several records at a time; and
• Report user data from the Plates view, maintaining color coding.

Augmented integration with third-party software and LIMS systems:

• Web Librarian External API is added for enhanced customization and integration. This interface also enables structure search by molfile content, and multiple database searching;
• Improved ISIS Integration includes new reactions support and reaction/subreaction searching, ability to extract database forms from ISIS databases upon opening or create new ones if no form is available, and present ISIS databases in a Tile or Table View for convenient browsing;
• Integration with ACD/Workflow Manager, and ACD/Documents Manager module enables the creation of a complete inter-department analytical sample management system; and
• Enhanced integration with ACD/Labs desktop products allows users to utilize ACD/ChemSketch and ACD/SpecManager modules to perform structural and spectral searches within Web Librarian. You now also have the option of opening a database in either Web Librarian or your desktop ACD/Labs database application.

Improved IT security allows the Web Librarian administrator to:

• Assign viewing privileges by defining access to the nodes' structure (Node Tree). If a user was denied access to a particular folder, this folder does not appear in the Explorer View of Web Librarian;
• Enable HTTPS safe protocol with encrypted data transmission; and
• Set up predetermined authentication based on:
  • NT domain or Active Directory
  • Oracle® login
  • Novell Directory Services
  • Web application
  • Specific external applications

New Administrator's privileges include the ability to:

• Optionally prevent a user from changing the database layout;
• Improve registration control system. Internal security can be checked by:
  • License
  • Date of expiration
  • Number of allowed seats
  • Number of concurrent connections to a given database for a particular user
• Control the number of concurrent connections to a given database for a given group; and
• Define the authentication level based on IP address or DNS name.

A number of new features bring the usability of this product to a new level. For example, users can conveniently display their notes and data in User Notes, view the Table of ¹⁵N Shifts for 2D NMR N,H COSY calculated spectrum, and convert any spectrum into the Table view. While working with numerous files and databases, customers can use the Find option to locate their file in the directories, and switch between the databases in a fast and convenient fashion.

NEW Capability: Support of structural Barcodes to enable 2D barcode scanning to retrieve stored chemical structures, and to find an associated database record. Also, the barcode can now be included into a Web Librarian report for further data unification.