cloud

CDK Depict

A webservice for generating chemical structure images from SMILES inputs.

Main Webpage: https://www.simolecule.com/cdkdepict/depict.html

Tool Webpage: https://cdkdepict.cloud.vhp4safety.nl/

Contact

Contact Person(s): Egon Willighagen (egon.willighagen@maastrichtuniversity.nl)

Provider Institute: simolecule

Documentation

VHP4Safety Documentation

• Service Introduction: To be added

• Workflow: To be added

• Demo: To be added

VHP4Safety Service Metadata

• Stage: https://vhp4safety.github.io/glossary#VHP0000149

• Sub-Stage: https://vhp4safety.github.io/glossary#VHP0000148

• Development Cloud: https://cdkdepict.cloud.vhp4safety.nl/

• Login Required: no

• TRL: TRL 8 - system complete and qualified

• Type: internal

• API Type: REST

• Categories: To be added

• Targeted Users: To be added

• Relevant VHP4Safety Use Case: To be added

Technical Tool Specifications

• Citation: 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: cdk_depict

• FAIRsharing: Not available

• TeSS: cdk depict

• RSD: Not available

• Wikipedia: Not available