PubChem Substance and PubChem CompoundBolton, Evan EWang, YanliThiessen, Paul ABryant, Stephen H
the PubChem archive includes 1,239,752 charged chemical formulas, where charges are denoted by a symbol at the end of the chemical formula. The core parent structure of a compound indicates the composition of the compound
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 Substance and Compound databases PubChem (https://pubchem.ncbi.nlm.nih.gov) is a public repository for information on chemical substances and their biological activities, launched in 2004 ... K Sunghwan,PA Thiessen,EE Bolton,... - 《Nucleic Acids Research》 被引量: 678发表: 2016...
PUBCHEM_21337242 is a chemical compound and has a chemical formula of CH₃BO.一般特性 公式 CH₃BOStructure of PUBCHEM_21337242 Oxidation Numbers of CH₃BO Lewis Structure of CH₃BO [B]C=O Number and Types of Bonds in CH₃BO Single Bonds 2 Double Bonds 1 Composition of PUBCHEM_...
PUBCHEM_22345099 CH₃NO₃PUBCHEM_22345099 is a chemical compound and has a chemical formula of CH₃NO₃.一般特性 公式 CH₃NO₃Structure of PUBCHEM_22345099 Oxidation Numbers of CH₃NO₃ Lewis Structure of CH₃NO₃ C(=O)(N)OO Number and Types of Bonds in CH₃NO₃ ...
@IgirisujinThank you so much.I understood.
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 ...
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