Blue Obelisk ChemoInformatics Metadata Dictionary

Christian Hoppe, Egon Willighagen and Peter Murray-Rust

This dictionary describes terminology used in the Blue Obelisk ChemoInformatics dictionary [BODICT] .

[Entries] [Bibliography] [Final Notes]

Entries

2D Layout (geometry2d)

• Definition
  Class of algorithms relating to 2D molecular layout coordinates.

  Relations
  Is a: Category
  Implementations
  Search implementations on Google.com

Contributed by: Egon Willighagen. Created on: 2005-06-22.

3D Geometry (geometry3d)

• Definition
  Class of algorithms relating to 3D molecular geometries.

  Relations
  Is a: Category
  Implementations
  Search implementations on Google.com

Contributed by: Egon Willighagen. Created on: 2005-06-21.

Atom Type Perception (atomTypePerception)

• Definition
  Class of algorithms relating to atom type perception.

  Relations
  Is a: Category
  Implementations
  Search implementations on Google.com

Contributed by: Christian Hoppe. Created on: 2005-08-15.

Building (building)

• Definition
  Class of algorithms relating to building molecular models.

  Relations
  Is a: Category
  Implementations
  Search implementations on Google.com

Contributed by: Peter Murray-Rust. Created on: 2005-04-17.

Calculation of Properties (calculationOfProperties)

• Definition
  Class of algorithms relating to calculation of properties.

  Relations
  Is a: Category
  Implementations
  Search implementations on Google.com

Contributed by: Peter Murray-Rust. Created on: 2005-04-17.

Category (category)

• Definition
  Some yet undefined type of category.

  Implementations
  Search implementations on Google.com

Contributed by: Egon Willighagen. Created on: 2005-04-17.

Chemical Graph Theory (graph)

• Definition
  Class of algorithms relating to chemical graph theory.

  Relations
  Is a: Category
  Implementations
  Search implementations on Google.com

Contributed by: Egon Willighagen. Created on: 2005-04-27.

Crystallography (crystallography)

• Definition
  Class of algorithms relating to crystallography.

  Relations
  Is a: Category
  Implementations
  Search implementations on Google.com

Contributed by: Peter Murray-Rust. Created on: 2005-04-17.

Is Classified As (isClassifiedAs)

• Definition
  Indicates a one-directional relation between to entries where one is classified as the second entry.

  Implementations
  Search implementations on Google.com

Contributed by: Egon Willighagen. Created on: 2005-04-17.

Is a (instanceOf)

• Definition
  Indicates that the entry is a instance of the linked entry.

  Implementations
  Search implementations on Google.com

Contributed by: Egon Willighagen. Created on: 2005-04-27.

Rendering (rendering)

• Definition
  Class of algorithms relating to rendering of molecular models.

  Relations
  Is a: Category
  Implementations
  Search implementations on Google.com

Contributed by: Peter Murray-Rust. Created on: 2005-04-17.

Stereochemistry (stereochemistry)

• Definition
  Class of algorithms relating to stereochemistry.

  Relations
  Is a: Category
  Implementations
  Search implementations on Google.com

Contributed by: Peter Murray-Rust. Created on: 2005-04-17.

Bibliography

[BODICT] The Blue Obelisk Project. Blue Obelisk ChemoInformatics Dictionary, http://qsar.sourceforge.net/dicts/blue-obelisk/index.xhtml.

Final Notes

This dictionary [$Revision: 1.9 $] was last modified by [$Author: egonw $] on [$Date: 2005/08/15 09:39:14 $]. The XML source can be found in CVS

Additions to this dictionary can be send to the QSAR project developers list (qsar-devel). If you find an error on this page, please post a bug report then on this page. In Category you can select the dictionary which contains the error.