@datagrok/pubchem-api

1.1.16 • Public • Published

PubChemApi

PubChemApi is a package for the Datagrok platform that provides search capabilities in the PubChem database.

Features

  • Identity Search finds identical PubChem structures for the specified structure are identical to the provided chemical structure with different notions of chemical structure identity

  • Substructure Search finds PubChem structures for the specified substructure

  • Similarity Search finds similar PubChem structures for the specified structure

Package demo

See also:

Readme

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Install

npm i @datagrok/pubchem-api

Weekly Downloads

14

Version

1.1.16

License

none

Unpacked Size

4.46 MB

Total Files

21

Last publish

Collaborators

  • stleonid
  • spodgrok
  • aparamonov_datagrok
  • skalkin
  • dskatov