Chemoinformatics
Chemoinformatics
Chemoinformatics (pronounced: ke-mo-in-fo-ma-tiks), also known as cheminformatics or chemical informatics, is an interdisciplinary field that uses computer and informational techniques applied to a range of problems in the field of chemistry.
Etymology
The term "chemoinformatics" is a portmanteau of "chemical" and "informatics". It was coined to describe the merging of chemical science and information science.
Definition
Chemoinformatics is the use of computer and informational techniques, applied to a range of problems in the field of chemistry. These in silico techniques are used in pharmaceutical companies in the process of drug discovery. These methods can also be used in chemical and allied industries in various other forms.
Related Terms
- Molecular Modelling: Molecular modelling encompasses all methods, theoretical and computational, used to model or mimic the behaviour of molecules.
- Drug Discovery: Drug discovery is the process by which new candidate medications are discovered.
- Bioinformatics: Bioinformatics is an interdisciplinary field that develops methods and software tools for understanding biological data, in particular when the data sets are large and complex.
- Pharmacophore: A pharmacophore is an abstract description of molecular features which are necessary for molecular recognition of a ligand by a biological macromolecule.
- QSAR: Quantitative structure–activity relationship (QSAR) models are regression or classification models used in the chemical and biological sciences and engineering.
See Also
External links
- Medical encyclopedia article on Chemoinformatics
- Wikipedia's article - Chemoinformatics
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