Features

The MOGADOC database consists of two files, a bibliographic one called MGDLIT and a compound related one called MGDCOM.

MGDLIT contains bibliographic data, among them keywords. The keywords, which form hierarchically controlled vocabulary of about 2000 items, characterize the contents of the quoted publications in more details than titles can do. Appropriate keywords are selected by experts, who specially review the documents.

MGDCOM deals with the corresponding compounds. It contains numerical structural parameters (internuclear distances, bond angles, and dihedral angles) and graphical information (such as structural formulas and 3D models).

The main retrieval options include:

  • bibliographic search terms (authors, sources, single words in titles)
  • keywords (hierarchical terms of controlled vocabulary)
  • extensive interactive thesaurus functions  
  • (sub)structure retrieval
  • substance names and synonyms
  • chemical name segment search field
  • gross formula (Hill system) and CAS Registry numbers
  • individual element count search fields for C, H, N, O, P, S and F
  • numerical searches of bond lengths and angles
  • nested Boolean expressions
  • file crossover
  • language field
  • supplementary terms for additional keywords
  • periodic groups
  • method of structure determination search field
  • locator field to locate bibliographic entries corresponding to a certain compound entry
  • left and right truncation
  • fuzzy search
  • statistical functions (tabular and graphical format)
  • sorting of hitlists
  • user defined formats
  • user defined comments

The retrieved data contains:

  • bibliographic data (title, authors, source, year of publication, errata)
  • keywords (hierarchical terms of controlled vocabulary)
  • chemical name and conformational description
  • stereo formula
  • numerical structural data (distances, angles)
  • remarks (comments on the structures and their determination)
  • (sub)structure retrieval
  • 3D structural models (NEW: get geometrical properties including centroids and coordinate axes)