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@datagrok/pubchem-api

v1.3.1

Published

Integration with the PubChem web service.

Vulnerabilities

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Links

Git

Maintainers

aparamonov_datagrokaparamonov_datagrokskalkinskalkindrizhinadrizhinappolovyi_datagrokppolovyi_datagrokaleksashka_11aleksashka_11

Keywords

Readme

PubChem

PubChem is a package for the Datagrok platform that provides search capabilities in the PubChem database. Note that package queries external source, the structure you are searching with is sent to PubChem as a query parameter.

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: