cloud

CDK Depict

A webservice that converts a SMILES into 2D depictions (SVG or PNG).

Documentation

VHP4Safety Documentation

• Service introduction:
• Workflow:
• Demo:

VHP4Safety Service Metadata

• Development cloud: https://cdkdepict.cloud.vhp4safety.nl/
• Login required: no
• Implementation status:
• TRL: TRL 8 - system complete and qualified
• Type: -
• Contact: Egon Willighagen
• API Type: REST
• Categories: -
• Targeted users: -
• Relevant VHP4Safety Use case: -

Technical tool specifications

• Provided by: simolecule
• Citation: https://doi.org/10.1186/s13321-017-0220-4
• Version: 1.9.3
• License: LGPL 2.1
• Source Code: https://github.com/cdk/depict
• Docker: https://hub.docker.com/r/simolecule/cdkdepict
• Bio.tools: https://bio.tools/cdk_depict
• FAIRsharing:
• TeSS: https://tess.elixir-europe.org/search?q=cdk depict
• RSD:
• Wikipedia: