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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]
Carbohydrate Structure Database Zelinsky Institute of Organic Chemistry: carbohydrates structures references CSDB ID "CSDB". CTD Comparative Toxicogenomics Database: Department of Biological Sciences at North Carolina State University MeSH CASNo ChEBI PubChem genes, pathways "CTD". DDB Dortmund Data Bank: pure compounds, mixtures, gas hydrates
A chemical database is a database specifically designed to store chemical information. This information is about chemical and crystal structures , spectra, reactions and syntheses, and thermophysical data.
R&D Chemicals - Free compound search by chemical name, CAS Number, structure and substructure See also: PubChem , Entrez , PubMed , GenBank , Chemical database , CAS Registry Number , List of inorganic compounds , List of organic compounds , List of biomolecules , List of minerals , Inorganic compounds by element , Dictionary of chemical ...
This page was last edited on 27 November 2019, at 02:25 (UTC).; Text is available under the Creative Commons Attribution-ShareAlike 4.0 License; additional terms may apply.
The US National Institute of Health PubChem database is a huge source of chemical data. All of the data is in two-dimensions. Data includes SDF, SMILES, PubChem XML, and PubChem ASN1 formats. The worldwide Protein Data Bank [12] is an excellent source of protein and nucleic acid molecular coordinate data. The data is three-dimensional and ...
The Entrez (IPA:) [1] Global Query Cross-Database Search System is a federated search engine, or web ... PubChem Compound: unique small molecule chemical structures;
Substructure search is used to retrieve from a database of chemicals those which contain the pattern of atoms and bonds specified by a user. It is implemented using a specialist type of query language and in real-world applications the search may be further constrained using logical operators on additional data held in the database.