KetcherSearch

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Pure front-end implementation of SMILES⇄mol based on Ketcher Searching for compound information from molecular structures

Powered by Ketcher & KetchKitSearch

Dependencies

• Data source
  • pubchem

Search target

Tip

DrugBank exact and Wikipedia jump links from PubChem JSON

• nmrdb
• pubchem
  • wikipedia
  • drugbank
• swisstargetprediction
• Shop
  • chemicalbook
  • tansoole
  • sigma-aldrich
  • tci
  • macklin
  • leyan

Demo

Functionality

• Real-time conversion of SMILES and mol
• Query the mol via CAS
• Example:
  • Benzyl titanium
  • Nonanal
  • Palytoxin
• Clear
• Copy
• Get:
  • CAS
  • Name IUPACName
  • Formula Molecular Formula
• HNMR
• PubChem
• Wikipedia
• DrugBank
  • exact
  • fuzzy Fuzzy, structural and similar search
• STP SwissTargetPrediction
• Shop
  • 1 ChemicalBook
  • 2 Tansoole
  • 3 Sigma-Aldrich
  • 4 TCI
  • 5 Macklin
  • 6 Leyan

More

• StructuredSearch - Searching for compound information from molecular structures based on Marvin JS and web services