A Java library for chem- and bioinformatics, with functionality to read/write chemical structures, calculate molecular descriptors, physicochemical properties, substructure and similarity searching, and much more.
Main Webpage: http://cdk.github.io/
Contact Person(s): Egon Willighagen (egon.willighagen@maastrichtuniversity.nl)
Service Introduction: Groovy Cheminformatics with the Chemistry Development Kit
Workflow: To be added
Demo: To be added
Stage: Not available
Sub-Stage: Not available
Development Cloud: Not available
Login Required: Not available
TRL: Not available
Type: Not available
API Type: Not available
Categories: To be added
Targeted Users: To be added
Relevant VHP4Safety Use Case: To be added
Citation: 10.1186/s13321-017-0220-4
Version: Not available
License: Not available
Source Code: Not available
Docker: Not available
Bio.tools: cdk
FAIRsharing: Not available
RSD: cdk
Wikipedia: https://en.wikipedia.org/wiki/Chemistry_Development_Kit