ACD/Web Librarian

What's New

Version 6.0 to 7.0

General Features

• Complex Reaction Schemes support: Now Web Librarian supports complex reaction schemes. This allows you to view data for such complex transformations as multi-step syntheses and metabolic reactions. You can get separate information about the whole scheme, reaction, and component in a convenient form.
• Working with ISIS databases: Web Librarian now contains drivers for browsing and searching through ISIS databases.
• Checking Internet Explorer settings: Now Web Librarian checks whether vital limitations are in use and informs you about them.
• CHM/MOL/RXN format export/import: Built-in Structure Drawing Applet allows you to load and save files in the following formats:
  • ChemDraw (*.chm)
  • MDL molfile (*.mol)
  • MDL RXNfile (*.rxn)

Interface Features

• Table viewing mode features:
  • You can change a set of columns and rearrange them by changing the order.
    Operations can be performed with one column or several simultaneously.
  • Columns widths can be changed via the Table viewing mode shortcut menu or by dragging the split line between the headers.
  • Spectrum/chromatogram parameters are now shown via the Table viewing mode.
  • Multiple spectra/chromatograms belonging to one database record now can be shown via separated columns.
• Quick finding of database files: You can rapidly find the needed database to open it. You can search a database by:
  • File name or file name mask
  • Size
  • Date of last modification
• Showing of all structures in one structure subwindow: Now you can choose whether to show one structure with navigation buttons or all structures in the same picture.
• Scaling structures/reactions in the structure subwindow: Some complex chemical structures or reactions may be illegible in the structure subwindow. Now you can scale structures and reactions to view them in closer detail.
• Usage of Address Book when sending e-mail messages: While sending emails with record references included, you can use the standard Windows address book.
• Sorting in Table View: Sorting in Table viewing mode is possible by clicking table header.
• Switching between recently used databases: Quick switching between up to ten recently used databases is possible by clicking the database caption. On returning to one of recently used databases, Web Librarian remembers the last record shown, viewing mode (One Record/Tile/Table), search conditions, and so on.
• New Layout for Search Records Window: Search Records Window now consists of several subwindows for different groups of search options. You can minimize or expand every subwindow and include/exclude the options into/from the searching query.
• Adding and Setting-up Plates: For more convenient navigation, you now can add plates to any database (except the ISIS Databases). Each added plate can be configured according to your needs.
• Scaling structures/reactions in the structure subwindow: Some complex chemical structures or reactions may be illegible in the structure subwindow. Now you can scale structures and reactions to view them in closer detail.
• Opening a structure or reaction with a drawing tool: It is possible to open a structure or reaction with a drawing tool either by double-clicking on it in the Structure subwindow by using the shortcut menu commands. Edited structures or reactions can later be used in search queries.
• Button for closing a database: Now you can close any database if even your Web Librarian configuration does not have a button for logging out.

Search Features

• Searching polymers: Web Librarian now searches structures containing polymers. It can use polymeric structures drawn in ACD/Structure Drawing Applet or ACD/MolX in search queries.
• Additional options for searching peaks of spectra of the MASS type:
  • Set a tolerance in the specified box and choose its unit of measurement (Da or ppm) via option buttons.
• New types of custom searches including:
  • Search by chemical shifts/coupling constants: Search by chemical shifts and coupling constants is possible for the CNMR, HNMR, and XNMR types of databases.
  • Search by various User Data parameters for the selected databases.
• Highlighting of found substructure. Highlighting of found structure in blue is implemented in all possible viewing modes: One Record, Tile, and Table.

Reporting Features

• View linked files: You can download a report that is embedded in a record as well as view its properties, version, or history of changes. This feature is developed for SQL databases only.
• Report using special templates: Web Librarian supports templates based on the ChemSketch *.sk2 documents for reports.

New database formats

• ISIS Databases (*.db)
• ACD/pKa user DB (*.pud)
• ACD/LogP user DB (*.lud)
• ACD/Solubility user DB (*.sud)
• ACD/LogP internal DB
• ACD/pK_a internal DB
• ACD/Solubility internal DB
• ACD/Indexbase (*.ndi) containing references to the data located on a network or file system
• Single files of the following formats:
  • Adobe Acrobat (*.pdf)
  • Microsoft Word Document (*.doc)
  • Microsoft PowerPoint (*.ppt)
  • Microsoft Excel (*.xls)
  • HTML (*.html, *.htm)
  • ACD/Labs Spectrum (*.esp)
  • Galactic (*.spc)
  • JCAMP (*.dx,*.jdx)
  • MDL molfile (*.mol)
  • MDL SDfile (*.sdf)
  • MDL Sketch (*.skc)
  • MDL Reactions (*.rxn)
  • ChemDraw (*.chm, *.cdx)
  • ChemSketch 2.0 Document (*.sk2)
  • Most of the spectral formats supported by ACD/SpecManager