Download Chemistry Development Kit 2.5

September 9, 2023| Chemist
Download Chemistry Development Kit

Chemistry Development Kit (CDK) toolkit software free download is computer software, a library in the programming language Java, for chemoinformatics and bioinformatics. CDK is currently used in several applications, including the programming language R, CDK-Taverna (a Taverna workbench plugin), Bioclipse, PaDEL, and Cinfony. Also CDK extensions exist for Konstanz Information Miner (KNIME) and for Excel, called LICSS.

Major features of Chemistry Development Kit (CDK)

  • Chemoinformatics
  • 2D molecule editor and generator
  • 3D geometry generation
  • Ring finding
  • Substructure search using exact structures and Smiles arbitrary target specification (SMARTS) like query language
  • QSAR descriptor calculation
  • Fingerprint calculation, including the ECFP and FCFP fingerprints
  • Force field calculations
  • Many input-output chemical file formats, including simplified molecular-input line-entry
  • System (SMILES), Chemical Markup Language (CML), and chemical table file (MDL)
  • Structure generators
  • International Chemical Identifier support, via JNI-InChI
  • Bioinformatics
  • Protein active site detection
  • Cognate ligand detection
  • Metabolite identification
  • Pathway databases
  • 2D and 3D protein descriptors

Download Chemistry Development Kit 2.5


4.8/5 - (26 votes)
Categories: Chemistry Software

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