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PubChem can be accessed for free through a web user interface. Millions of compound structures and descriptive datasets can be freely downloaded via FTP. PubChem contains multiple substance descriptions and small molecules with fewer than 100 atoms and 1,000 bonds. More than 80 database vendors contribute to the growing PubChem database. [2]
good correlated with PubChem on data that is available on PubChem "HugeMDB". 102 million ICSC ILO International Chemical Safety Cards International Labour Organization: CAS, EC number, UNnumber "ICSC". 1784 ICSD Inorganic Crystal Structure Database: FIZ Karlsruhe GmbH "ICSD". 161,030 IEDB Immune Epitope Database
Large databases, such as PubChem [11] [20] and ChemSpider, [21] have graphical interfaces for search. The Chemical Abstracts Service provides tools to search the chemical literature and Reaxys supplied by Elsevier covers both chemicals and reaction information, including that originally held in the Beilstein database . [ 22 ]
The International Chemical Identifier (InChI, pronounced / ˈ ɪ n tʃ iː / IN-chee) [3] is a textual identifier for chemical substances, designed to provide a standard way to encode molecular information and to facilitate the search for such information in databases and on the web.
A number of available search modules are provided: The standard search allows querying for systematic names , trade names and synonyms and registry numbers The advanced search allows interactive searching by chemical structure, chemical substructure, using also molecular formula and molecular weight range, CAS numbers, suppliers, etc.
This category is hidden on its member pages—unless the corresponding user preference (Appearance → Show hidden categories) is set.; These categories can be used to track, build and organize lists of pages needing "attention en masse" (for example, pages using deprecated syntax), or that may need to be edited at someone's earliest convenience.