PubChem
PubChem is an open access database developed by the National Center for Biotechnology Information (NCBI), containing information on chemical substances and compounds, their chemical structures, physical and chemical properties, biological activity, toxicology, and patent data.
The service includes three sub-bases: PubChem Substance, PubChem Compound and PubChem BioAssay.
- PubChem Substance is a substance database that contains information on, inter alia, chemical structures as well as chemical names, comments and links to websites.
- PubChem Compound is a chemical compound database that records chemical structures. In the database you can find information such as IUPAC names, formulas, physicochemical properties, spectra (1H NMR, 13C NMR, 2D NMR, MS-MS, GC-MS, LC-MS, UV, IR), biological activity, toxicology, pharmacology. Each record can be associated with one or more substances from the PubChem Substance database.
- PubChem BioAssay is a biological database that contains information on the bioactivity of the substances contained in PubChem Substance
The database allows you to search for individual chemical compounds using structural formulas, which you can create yourself using the built-in editor.