Cheminformatics

Cheminformatics (also known as chemoinformatics) refers to the use of <a href="/facts/Physical_chemistry/WqwnJjRM">physical chemistry</a> theory with <a href="/facts/Computer_science/lN3pEyPz">computer</a> and <a href="/facts/Information_science/HGG3e3Jv">information science</a> techniques—so called "<a href="/facts/In_silico/g2Cz0ejg">in silico</a>" techniques—in application to a range of descriptive and prescriptive problems in the field of <a href="/facts/Chemistry/SrNqkGVm">chemistry</a>, including in its applications to <a href="/facts/Biochemistry/fa2pWEBp">biology</a> and <a href="/facts/Molecular_biology/YgqU35ub">related molecular fields</a>. Such <a href="/facts/In_silico/g2Cz0ejg">in silico</a> techniques are used, for example, by <a href="/facts/Pharmaceutical_companies/5mCITYys">pharmaceutical companies</a> and in academic settings to aid and inform the process of <a href="/facts/Drug_discovery/LLdDNvjy">drug discovery</a>, for instance in the design of well-defined <a href="/facts/Combinatorial_libraries/WW2SSJnq">combinatorial libraries</a> of synthetic compounds, or to assist in <a href="/facts/Structure-based_drug_design/XAU0Ke3d">structure-based drug design</a>. The methods can also be used in chemical and allied industries, and such fields as <a href="/facts/Environmental_science/svr8eCse">environmental science</a> and <a href="/facts/Pharmacology/4Rx8s7Ie">pharmacology</a>, where chemical processes are involved or studied.

Cheminformatics open-in-new

Cheminformatics