What is Chemical database?
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. ==Chemical structures == [[Chemical structure]]s are usually shown using lines (that [[wikt:indicate|indicate]] [[chemical bonds]] between [[atoms]]) and drawn on paper.<ref>Arthur Winter, ''Organic Chemistry I For Dummies'' (Hoboken, NJ: Wiley, 2005), p. 49</ref> Computer [[search algorithm]] and [[computer storage|storage]] cannot use this method. Small molecules or [[ligand]]s, are usually represented using lists of atoms and their connections. Large molecules like protein are shown using their [[building block]]s, [[amino acid]]s and the order of these. Large chemical databases for structures allow users to store and search for millions of molecules. Therefore, they take up [[terabyte]]s of memory. == Literature == Chemical literature connect structures or properties of chemicals to academic papers or patents related to them. Examples of this type are [[Chemical Abstracts Service#Products|STN]], [[Chemical Abstracts Service#Products|Scifinder]], and [[Reaxys]].<ref>{{cite web |url=http://www.infotoday.com/OnlineSearcher/Articles/InDepth-Reports/Apples-and-Oranges-A-Chemistry-Search-Compares-CAS-SciFinder-and-Elseviers-Reaxys-91663.shtml |title=Apples and Oranges: A Chemistry Search Compares CAS' SciFinder and Elsevier's Reaxys |author=Robert E. Buntrock|date=September–October 2013 |publisher= Information Today, Inc. |access-date=22 June 2014 }}</ref> == Crystallography == [[Crystallography]] databases store x-ray crystal structure data. Common examples include [[Protein Data Bank]], [[Cambridge Structural Database]], and [https://crystallography.io COD+ Database] {{Webarchive|url=https://web.archive.org/web/20220516170041/https://crystallography.io/ |date=2022-05-16 }} . == NMR spectra == [[NMR spectroscopy]] databases provide information to relate structure and [[NMR]] data. They have in