PubChem Substance and PubChem CompoundBolton, Evan EWang, YanliThiessen, Paul ABryant, Stephen H
Identification of discrepant data in aggregated databases is a key step in data curation and remediation. We have applied the ALATIS approach, which is based on the international chemical shift identifier (InChI) model, to the full PubChem Compound database to generate unique and reproducible compo...
PubChem [1,2] is an open repository for chemical substance description, biological activities and biomedical annotations. PubChem is organized as three distinct and interrelated primary databases: Substance, BioAssay, and Compound. The Substance database (accession SID) includes depositor-provided sample...
PubChem Compound，小分子化学物质结构; PubChem Substance，具生物活性之化学物质筛选数据;版主果然不同...
The website comprises three databases: PubChem Substance (search names of substances), PubChem Compound (search unique chemical structures), and PubChem BioAssay (search bioassay records). So get ready to expand your circle of online resource friends, folks, as PubChem certainly warrants an occasi...
As shown inFig. 3, PubChem organizes its data into three inter-linked databases: Substance, Compound, and BioAssay (Kimet al., 2016a) (see the Relevant Websites section). The Substance database contains chemical substance descriptions submitted by individual data depositors. Unique chemical struct...
It consists of three primary databases: Substance, Compound, and BioAssay. The PubChem Compound database contains the unique chemical structure content found in the PubChem Substance database. When possible, a theoretical 3-D conformer model description is generated for each and every record in ...
view panel provides a summary of the results ten compounds at a time with preview of structure and selected data fields; and BioAssay retriever – retrieves the actual bioassay activ- ity data and exports them along with selected com- pounds/substance data fields to Microsoft Excel or text ...
PubChem consists of three primary databases: Substance, Compound, and BioAssay. The PubChem Substance database contains sample descriptions provided © 2013 Kim et al.; licensee Chemistry Central Ltd. This is an Open Access article distributed under the terms of the Creative Commons Attribution ...
conformer rotation speed, conformer image resize, conformer filtering, and sorting. The viewer allows any arbitrary set of 3-D compound conformers or conformer pairs (substance and compound) that exists within PubChem to be viewed or superimposed. This tool is also the primary resource to visualiz...