@datagrok/pubchem-api v1.3.0

PubChemApi

PubChemApi 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

See also:

• Similarity Search
• Chem package