cpLogD

A model to predict water–octanol distribution coefficient (logD) for chemical compounds. It is a proxy for the lipophilicity which is a major determinant of drug properties and overall suitability of drug candidates.

External Service

  • Development cloud: https://cplogd.cloud.vhp4safety.nl/

  • Login required:

  • Implementation status:

  • TRL:

  • Type: -

  • Contact: Ola Spjuth

  • API Type:

  • Demo:

  • Categories: -

  • Targeted users: -

  • Relevant VHP4Safety Use case: -

Tool specifications

Tool integration

  • [ ] Utilises the VHP4Safety APIs to ensure that each service is accessible to our proposed interoperability layer.

  • [ ] Is annotated according to the semantic interoperability layer concept using defined ontologies.

  • [ ] Is containerised for easy deployment in virtual environments of VHP4Safety instances.

  • [ ] Has documented scientific and technical background.

  • [ ] Is deployed into the VHP4Safety development environment.

  • [ ] Is deployed into the VHP4Safety production environment.

  • [ ] Is listed in the VHP4Safety discovery services.

  • [ ] Is listed in other central repositories like eInfraCentral, bio.tools and TeSS (ELIXIR).

  • [ ] Provides legal and ethical statements on how the service can be used.