cloud

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.

Documentation

VHP4Safety Documentation

• Service introduction: Predicting Water–Octanol Distribution Coefficient (logD) for Chemical Compounds
• Workflow:
• Demo:

VHP4Safety Service Metadata

• Development cloud: https://cplogd.cloud.vhp4safety.nl/ https://cplogd.cloud.vhp4safety.nl/
• Login required:
• Implementation status:
• TRL:
• Type: -
• Contact: Ola Spjuth
• API Type:
• Categories: -
• Targeted users: -
• Relevant VHP4Safety Use case: -

Technical tool specifications

• Provided by: ArosBio (https://arosbio.com/index.html)
• Citation: https://doi.org/10.1186/s13321-018-0271-1
• 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: