Chemical similarity (or molecular similarity) refers to the similarity of chemical elements, molecules or chemical compounds with respect to either structural or functional qualities, i.e. the effect that the chemical compound has on reaction partners in inorganic or biological settings. Biological effects and thus also similarity of effects are usually quantified using the biological activity of a compound. In general terms, function can be related to the chemical activity of compounds (among others).
Amphetamine and Methylhexanamine similarity
The notion of chemical similarity (or molecular similarity) is one of the most important concepts in cheminformatics.[1][2] It plays an important role in modern approaches to predicting the properties of chemical compounds, designing chemicals with a predefined set of properties and, especially, in conducting drug design studies by screening large databases containing structures of available (or potentially available) chemicals. These studies are based on the similar property principle of Johnson and Maggiora, which states: similar compounds have similar properties.[1]
^ abJohnson, A. M.; Maggiora, G. M. (1990). Concepts and Applications of Molecular Similarity. New York: John Wiley & Sons. ISBN 978-0-471-62175-1.
^N. Nikolova; J. Jaworska (2003). "Approaches to Measure Chemical Similarity - a Review". QSAR & Combinatorial Science. 22 (9–10): 1006–1026. doi:10.1002/qsar.200330831.
and 27 Related for: Chemical similarity information
Chemicalsimilarity (or molecular similarity) refers to the similarity of chemical elements, molecules or chemical compounds with respect to either structural...
Despite a high chemicalsimilarity, structural analogs are not necessarily functional analogs and can have very different physical, chemical, biochemical...
Look up similarity in Wiktionary, the free dictionary. Similarity may refer to: Similarity (geometry), the property of sharing the same shape Matrix similarity...
related fields, a similarity measure or similarity function or similarity metric is a real-valued function that quantifies the similarity between two objects...
A chemical element is a chemical substance that cannot be broken down into other substances by chemical reactions. The basic particle that constitutes...
Sufficient similarity is a 20th-century para-legal concept used in the chemical industry for toxicological studies. The term was first employed in a restricted...
and mineralogist William Hyde Wollaston (1766–1828). Despite its chemicalsimilarity to the compositional spectrum of the pyroxene group of minerals—where...
mineral cassiterite, which contains stannic oxide, SnO 2. Tin shows a chemicalsimilarity to both of its neighbors in group 14, germanium and lead, and has...
radical or an immobilized radical, a reference to its structural and chemicalsimilarity to a free radical. When speaking of a dangling bond, one is generally...
is compatible with it and therefore likely to bind. Different 2D chemicalsimilarity analysis methods have been used to scan a databases to find active...
from water and dairy products into the bones and teeth given its chemicalsimilarity to calcium. The team sent collection forms to schools in the St....
so-called "bone seeker" that accumulates in bone-tissue due to its chemicalsimilarity to calcium (once in the bones it can significantly damage the bone...
elements are among the most difficult to separate because of their chemicalsimilarity. Rutherfordium is expected to be a solid under normal conditions...
A compound is a pure chemical substance composed of more than one element. The properties of a compound bear little similarity to those of its elements...
identification using shape, chemistry and electrostatic similarity. EON - Chemicalsimilarity analysis via comparison of electrostatics overlay. FastROCS...
from water and dairy products into the bones and teeth given its chemicalsimilarity to calcium. The team sent collection forms to schools in the St....
used in treatment of bone cancer; this application utilizes its chemicalsimilarity to calcium, which allows it to substitute calcium in bone structures...
A chemical database is a database specifically designed to store chemical information. This information is about chemical and crystal structures, spectra...
from chickens and a pheasant. The cells contain cell walls with chemicalsimilarity to those of Staphylococcus epidermidis. Since its initial discovery...
semantic structure indexing (LaSSI) is a technique for calculating chemicalsimilarity derived from latent semantic analysis (LSA). LaSSI was developed...
molecular properties without relying on empirical correlations based on chemicalsimilarities. The term "physical chemistry" was coined by Mikhail Lomonosov in...
equipment use many technologies that have similarities to chemical plant technology such as fluid systems and chemical reactor systems. Some would consider...
hydrogen disulfide exhibit only weak hydrogen bonding and have little chemicalsimilarity to hydrogen peroxide. Structurally, the analogues all adopt similar...
previously a Schedule II drug in the United States because of its chemicalsimilarity to opium alkaloids. It was officially decontrolled on 23 January...
provides a functional similarity measure between chemical compounds and metabolic pathways using ChEBI based semantic similarity measures. CESSM provides...
Global Information