cdk-smiles

library2.7.1javamavenunverified

Modular library for Cheminformatics, providing SMILES parsing and generation capabilities.

<dependency>
  <groupId>org.openscience.cdk</groupId>
  <artifactId>cdk-smiles</artifactId>
  <version>2.7.1</version>
</dependency>

github ↗homepage ↗docs ↗

INSTALL

IMPORT

SIG · CDK-SMILES

cdk-smiles

utilityjavav2.7.1

harness data pending

Install & Compatibility

Where this runs

No compatibility data collected yet for this library.

Code

Verified usage

Verified import paths — ran on the pinned version, not inferred.

SmilesParser

✓ org.openscience.cdk.smiles.SmilesParser

Minimal usage of SmilesParser

import org.openscience.cdk.smiles.SmilesParser; import org.openscience.cdk.interfaces.IAtomContainer; public class Example { public static void main(String[] args) throws Exception { SmilesParser parser = new SmilesParser(); IAtomContainer mol = parser.parseSmiles("CCO"); System.out.println("Parsed ethanol"); } }

Debug

Known issues

No known issues recorded.

Upgrade

Version history

2.7.1latest on Maven

Audit

Dependencies

No dependency data recorded yet.

Agent activity

5 hits · last 30 days

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Amazon

Resources

githubhttps://github.com/cdk/cdk ↗

homepagehttp://sourceforge.net/projects/cdk/ ↗

docshttps://appdoc.app/artifact/org.openscience.cdk/cdk-smiles/ ↗