Lhasa Limited shared knowledge shared progress

Derek Knowledge Editor and Web Services

Derek Knowledge Editor

Derek Knowledge Editor enables you to create your own knowledge base that is built on the same schema used in the Lhasa-supplied Derek knowledge base.

This means that you can effectively capture your organisation’s knowledge from past research and make it useful and easily accessible to your current research programs. Using Derek Knowledge Editor, you can create and add knowledge, such as:

  • Structure-Activity Relationships

  • Knowledge Rules

  • Alerts

  • Example Structures

  • Literature References

The main application of Derek Knowledge Editor is to create and edit knowledge bases that are used by Derek Nexus.

Derek Knowledge Editor has the following key features.

  • Integrated Lhasa Limited Structure Editor: Removes the need to link to external, third-party structure editors.
  • Excellent User Interface: Functions are readily accessible, which makes the program user-friendly.
  • Search Functions: You can run a search for specific details of alerts, examples, patterns, reasoning rules, references, sources and toxicological data. 
  • Online Help and Tutorials: Online help and tutorials are available from the Help menu.
  • Multiple Knowledge Base Creation: Enables you to create, view and edit multiple knowledge bases from within the same interface.
  • Structure Processing: Enables you to process a compound against all Derek patterns to find if it matches any of the inclusion patterns, or any of the on-path exclusion patterns. This allows you to assess whether a ‘Nothing to Report’ output from Derek Nexus is a near miss.
  • Preview Pane: You can quickly assess the content of an alert through a preview pane.
  • Reusing Entities: You can copy entities, for example, patterns, from the Lhasa knowledge base and paste them into your own, custom knowledge base. NOTE: You cannot edit any of the entities in the Lhasa knowledge base.
  •  Alert and Pattern Testing: Enables you to test new custom alerts directly from within the editor rather than having to import the entire knowledge base in to Derek Nexus first. Additionally, you can test the matching of your pattern as you are creating it.
  • Powerful Pattern Features: Extensive enhancements enable you to express the following in a more detailed and/or efficient manner:
    • Atoms lists
    • Nested R-groups
    • R-groups with variable points of attachment
    • Logic operations for R-groups
  • Explora: Derek Knowledge Editor uses the Explora language, which is used to express complex attributes for atoms and bonds in patterns.


The Derek Web Service

Collectively referred to as the Derek Web Services, Lhasa Limited offers two web service solutions that can be incorporated into efficient internal processes by automating Derek Nexus into an institutional workflow.

The service provides the user with a curated knowledge base and delivers results in a standardised (.xml) format. This gives users the flexibility to apply a front end that suits their needs for both pre- and post-processing in your chosen system(s). For example, there may be the need to restrict selection of compounds to those stored within a central database, to store results in a project specific folder or utilise KNIME within your automated Derek workflow.

Derek Pipeline PilotTM Integration

In addition, we offer an integration option to provide the user with the relevant components with which to build a Pipeline Pilot protocol thereby exposing the curated knowledge from Derek Nexus, within Pipeline Pilot. The ability to standardise and automate processes can lead to more efficient working practices.


For more details on either solution, please refer to the brochure.

© 2023 Lhasa Limited | Registered office: Granary Wharf House, 2 Canal Wharf, Leeds, LS11 5PS, UK Tel: +44 (0)113 394 6020
VAT number 396 8737 77 | Lhasa Limited is registered as a charity (290866)| Company Registration Number 01765239 (England and Wales).