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:
Categories: -
Targeted users: -
Relevant VHP4Safety Use case: -
Tool specifications
Provided by: ArosBio (https://arosbio.com/index.html)
Version: 2.0.0
License: Copyrighted by Aros Bio
Source Code: https://github.com/pharmbio/cplogd-v2.0
Docker: https://github.com/pharmbio/cplogd-v2.0/pkgs/container/cplogd-v2.0
Bio.tools:
FAIRsharing:
TeSS:
RSD:
Wikipedia:
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.