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Randić's Molecular Connectivity Index
The Randić index, also known as the connectivity index, of a graph is the sum of bond contributions 1/(d_i d_j)^ where d_i and d_j are the degrees of the vertices making bond ''i'' ~ ''j''. History This graph invariant was introduced by Milan Randić in 1975.. It is often used in chemoinformatics for investigations of organic compounds. Notes References * Roberto Todeschini, Viviana Consonni (2009) "Molecular Descriptors for Chemoinformatics", ''Wiley-VCH Wiley-VCH is a German publisher owned by John Wiley & Sons. It was founded in 1921 as Verlag Chemie (meaning "Chemistry Press": VCH stands for ''Verlag Chemie'') by two German learned societies A learned society ( ; also scholarly, intellect ...'', *. Graph invariants Mathematical chemistry Cheminformatics de:Randić-Index {{chem-stub ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Graph (discrete Mathematics)
In discrete mathematics, particularly in graph theory, a graph is a structure consisting of a Set (mathematics), set of objects where some pairs of the objects are in some sense "related". The objects are represented by abstractions called ''Vertex (graph theory), vertices'' (also called ''nodes'' or ''points'') and each of the related pairs of vertices is called an ''edge'' (also called ''link'' or ''line''). Typically, a graph is depicted in diagrammatic form as a set of dots or circles for the vertices, joined by lines or curves for the edges. The edges may be directed or undirected. For example, if the vertices represent people at a party, and there is an edge between two people if they shake hands, then this graph is undirected because any person ''A'' can shake hands with a person ''B'' only if ''B'' also shakes hands with ''A''. In contrast, if an edge from a person ''A'' to a person ''B'' means that ''A'' owes money to ''B'', then this graph is directed, because owing mon ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Graph Invariant
Graph may refer to: Mathematics *Graph (discrete mathematics), a structure made of vertices and edges **Graph theory, the study of such graphs and their properties * Graph (topology), a topological space resembling a graph in the sense of discrete mathematics *Graph of a function * Graph of a relation *Graph paper *Chart, a means of representing data (also called a graph) Computing *Graph (abstract data type), an abstract data type representing relations or connections *graph (Unix), Unix command-line utility * Conceptual graph, a model for knowledge representation and reasoning *Microsoft Graph, a Microsoft API developer platform that connects multiple services and devices Other uses * HMS ''Graph'', a submarine of the UK Royal Navy See also * Complex network *Graf *Graff (other) *Graph database *Grapheme, in linguistics *Graphemics *Graphic (other) *-graphy (suffix from the Greek for "describe," "write" or "draw") * List of information graphics software *Sta ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Milan Randić
Milan Randić (born 1 October 1930) is a Croatian American scientist recognized as one of the leading experts in the field of computational chemistry. Birth and education Randić was born in the city of Belgrade, where his parents, originally from Kostrena in the Croatian Primorje, lived at the time. Kostrena is well known for its maritime tradition, with many shipowners and seamen among its residents. Randić's ancestors were shipowners and captains. In 1941, his family moved to Zagreb, where he continued his education. After completing Gymnasium in Zagreb, he studied Theoretical Physics at the University of Zagreb from 1949 to 1953. He then studied for Ph. D degree at the University of Cambridge, England from 1954 to 1958. Academic career From 1960 to 1970, Randić worked at the Ruđer Bošković Institute in Zagreb, Croatia, where he founded the Theoretical Chemistry Group. Between 1971 and 1980, he was a visiting professor at various universities in the United States, inclu ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Chemoinformatics
Cheminformatics (also known as chemoinformatics) refers to the use of physical chemistry theory with computer and information science techniques—so called "''in silico''" techniques—in application to a range of descriptive and prescriptive problems in the field of chemistry, including in its applications to biology and related molecular fields. Such ''in silico'' techniques are used, for example, by pharmaceutical companies and in academic settings to aid and inform the process of drug discovery, for instance in the design of well-defined combinatorial libraries of synthetic compounds, or to assist in structure-based drug design. The methods can also be used in chemical and allied industries, and such fields as environmental science and pharmacology, where chemical processes are involved or studied. History Cheminformatics has been an active field in various guises since the 1970s and earlier, with activity in academic departments and commercial pharmaceutical research a ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Organic Compound
Some chemical authorities define an organic compound as a chemical compound that contains a carbon–hydrogen or carbon–carbon bond; others consider an organic compound to be any chemical compound that contains carbon. For example, carbon-containing compounds such as alkanes (e.g. methane ) and its derivatives are universally considered organic, but many others are sometimes considered inorganic, such as certain compounds of carbon with nitrogen and oxygen (e.g. cyanide ion , hydrogen cyanide , chloroformic acid , carbon dioxide , and carbonate ion ). Due to carbon's ability to catenate (form chains with other carbon atoms), millions of organic compounds are known. The study of the properties, reactions, and syntheses of organic compounds comprise the discipline known as organic chemistry. For historical reasons, a few classes of carbon-containing compounds (e.g., carbonate salts and cyanide salts), along with a few other exceptions (e.g., carbon dioxide, and even ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Roberto Todeschini
Roberto is an Italian, Portuguese and Spanish variation of the male given name Robert. Notable people named Roberto include: * Roberto (footballer, born 1912) * Roberto (footballer, born 1977) * Roberto (footballer, born 1978) * Roberto (footballer, born 1979) * Roberto (footballer, born 1988) * Roberto (footballer, born January 1990) * Roberto (footballer, born December 1990) * Roberto (footballer, born 1998) * Roberto Abbondanzieri (born 1972), Argentine footballer * Roberto Acuña (born 1972), Paraguayan footballer * Roberto Alagna (born 1963), French operatic tenor * Roberto Alomar (born 1968), Puerto Rican baseball player * Roberto Alvarado (born 1998), Mexican footballer * Roberto Amadio (born 1963), Italian cyclist * Roberto d'Amico (born 1967), Belgian politician * Roberto Ayala (born 1973), Argentine footballer * Roberto Badiani (born 1949), Italian footballer * Roberto Baggio (born 1967), Italian footballer * Roberto Ballini (born 1944), Italian footballer * Roberto Ba ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Viviana Consonni
Viviana is a female given name, and may refer to: * ''Viviana'' (film), a 1916 American film * ''Viviana'' (telenovela), a 1978 Mexican telenovela * Saint Bibiana, or Viviana, 4th-century Roman martyr * Viviana (given name) See also * * Bibiana (other), a variant of the name * Vivian (given name), a variant of the name * Vivien (other), a variant of the name * Vivienne, a variant of the name * Saint Vibiana Saint Vibiana is a third-century Virgin (title)#Virgin martyrs, virgin martyr of the Roman Catholic Church. She is the Patron saint, patroness of the Roman Catholic Archdiocese of Los Angeles, Archdiocese of Los Angeles. Her liturgical feast day ..., 3rd-century Roman martyr * Acraea viviana, butterfly {{disambig ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Wiley-VCH
Wiley-VCH is a German publisher owned by John Wiley & Sons. It was founded in 1921 as Verlag Chemie (meaning "Chemistry Press": VCH stands for ''Verlag Chemie'') by two German learned societies A learned society ( ; also scholarly, intellectual, or academic society) is an organization that exists to promote an academic discipline, profession, or a group of related disciplines such as the arts and sciences. Membership may be open to al .... Later, it was merged into the German Chemical Society (GDCh). In 1991, VCH acquired Akademie Verlag. It has been owned by John Wiley & Sons since 1996. The humanities section of Akademie Verlag and the Akademie brand were sold in 1997 to R. Oldenbourg Verlag, while VCH retained the natural sciences catalog. References External links * Wiley (publisher) Publishing companies of Germany Publishing companies established in 1921 Weinheim German companies established in 1921 {{publish-company-stub ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Graph Invariants
Graph may refer to: Mathematics *Graph (discrete mathematics), a structure made of vertices and edges **Graph theory, the study of such graphs and their properties * Graph (topology), a topological space resembling a graph in the sense of discrete mathematics *Graph of a function * Graph of a relation * Graph paper *Chart, a means of representing data (also called a graph) Computing *Graph (abstract data type), an abstract data type representing relations or connections * graph (Unix), Unix command-line utility * Conceptual graph, a model for knowledge representation and reasoning * Microsoft Graph, a Microsoft API developer platform that connects multiple services and devices Other uses * HMS ''Graph'', a submarine of the UK Royal Navy See also * Complex network *Graf * Graff (other) * Graph database *Grapheme, in linguistics * Graphemics * Graphic (other) *-graphy The English suffix -graphy means a "field of study" or related to "writing" a book, and is ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Mathematical Chemistry
Mathematical chemistry is the area of research engaged in novel applications of mathematics to chemistry; it concerns itself principally with the mathematical modeling of chemical phenomena. Mathematical chemistry has also sometimes been called computer chemistry, but should not be confused with computational chemistry. Major areas of research in mathematical chemistry include chemical graph theory, which deals with topology such as the mathematical study of isomerism and the development of topological descriptors or indices which find application in quantitative structure-property relationships; and chemical aspects of group theory, which finds applications in stereochemistry and quantum chemistry. Another important area is molecular knot theory and circuit topology that describe the topology of folded linear molecules such as proteins and nucleic acids. The history of the approach may be traced back to the 19th century. Georg Helm published a treatise titled "The Principles ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Cheminformatics
Cheminformatics (also known as chemoinformatics) refers to the use of physical chemistry theory with computer and information science techniques—so called "'' in silico''" techniques—in application to a range of descriptive and prescriptive problems in the field of chemistry, including in its applications to biology and related molecular fields. Such '' in silico'' techniques are used, for example, by pharmaceutical companies and in academic settings to aid and inform the process of drug discovery, for instance in the design of well-defined combinatorial libraries of synthetic compounds, or to assist in structure-based drug design. The methods can also be used in chemical and allied industries, and such fields as environmental science and pharmacology, where chemical processes are involved or studied. History Cheminformatics has been an active field in various guises since the 1970s and earlier, with activity in academic departments and commercial pharmaceutical rese ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
