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

• pubchem - Data source

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 smiles
• Copy smiles
• Get:
  • CAS
  • IUPACName
  • Molecular Formula
• HNMR search
• PubChem search
• Wikipedia search
• DrugBank search
  • exact
  • fuzzy
• SwissTargetPrediction search
• 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