Skip to content

biantailab/KetcherSearch

Repository files navigation

KetcherSearch logo

KetcherSearch

English | 简体中文

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

Powered by Ketcher & KetchKitSearch

Dependencies

Tip

DrugBank exact and Wikipedia jump links from PubChem JSON

Demo

Functionality

  • Real-time conversion of smiles and mol
  • Example:
    • Benzyl titanium
    • Quinine
    • Palytoxin
  • Clear smiles
  • Copy smiles
  • Get:
    • CAS
    • IUPACName
    • Molecular Formula
  • HNMR search
  • PubChem search
  • Wikipedia search
  • DrugBank search
    • exact
    • fuzzy
  • SwissTargetPrediction search

More

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