Found 5 datasets matching "PubChem-structures".
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Chemical Block Layered Alignment of Substructure or Chem-BLAST uses a method for finding chemical compounds within a large collection. In this method, all chemical compounds are annotated in terms...
Search relevance: 39.55 | Views last month: 1 -
PUG provides access to PubChem services via a programmatic interface. Users may download data, initiate chemical structure searches, standardize chemical structures and interact with E-utilities....
Search relevance: 28.01 | Views last month: 0 -
Observed fup data obtained from the literature; SMILES structures obtained from Pubchem SDF files. This dataset is associated with the following publication: Yun, Y.E., R. Tornero-Velez, T....
Search relevance: 26.42 | Views last month: 0 -
ChemIDplus, the Chemical Identification Plus Database, is no longer updated. These are the final files from February 22, 2023. All ChemIDplus data have been incorporated into PubChem. ChemIDplus...
Search relevance: 24.50 | Views last month: 0