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@datagrok/pubchem-api

v1.2.0

Published

Integration with the PubChem web service.

Downloads

118

Vulnerabilities

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Links

Git

Maintainers

stleonidstleonidspodgrokspodgrokaparamonov_datagrokaparamonov_datagrokskalkinskalkindskatovdskatov

Keywords

Readme

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: