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Chemical Structure Association
The Chemical Structure Association Trust (CSA Trust) is an internationally recognized, registered charity which promotes education, research and development in the field of storage, processing and retrieval of information about chemical structures, reactions and compounds. Since 2003 it has incorporated the activities of the former Chemical Structure Association. The Trust produces a Newsletter three times a year, and organizes conferences and training in cooperation with other organizations. It also provides a forum for advice and discussion on chemoinformatics. A Board of Trustees manage the Trust. The trust jointly organizes several conferences (including the International Conference on Chemical Structures and the Sheffield Conference on Chemoinformatics, each held every three years). It has been designated a Scholarly Society, and has been highlighted in various publications. Awards and grants The CSA Trust Mike Lynch Award, named in honour of Professor Mike Lynch, is giv ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Chemoinformatics
Cheminformatics (also known as chemoinformatics) refers to 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 and de ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Mike Lynch (information Scientist)
Michael Felix Lynch MBCS (born February 1932) is a Professor Emeritus in the Information School of the University of Sheffield, England, his main research having been in chemoinformatics. Lynch obtained B.Sc. and Ph.D. degrees in chemistry from University College, Dublin in 1954 and 1957. Following two years in industry in the UK, he joined the staff of Chemical Abstracts Service (CAS) in Columbus, Ohio in the US, in 1961. Lynch returned to the UK in 1965 and was a teacher and researcher at Sheffield in the Postgraduate School of Librarianship and Information Science, later the Department of Information Studies and now the Information School, from 1965 until 1995. His research interests centred on the characterization of data structures implicit in records of information, both in relation to databases of text and of chemical structures, and on applying these data structures for the development of algorithms which might then lead to useful applications. Among the applications resulti ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Jacques-Émile Dubois
Jacques-Émile Dubois (13 April 1920 – 2 April 2005) was a French chemist. In 1981, Dubois became a founding member of the World Cultural Council The World Cultural Council is an international organization whose goals are to promote cultural values, goodwill and philanthropy among individuals. The organization founded in 1981 and based in Mexico, has held a yearly award ceremony since 19 .... References 1920 births 2005 deaths French Resistance members 20th-century French chemists Founding members of the World Cultural Council Library science scholars {{France-chemist-stub ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Cheminformatics
Cheminformatics (also known as chemoinformatics) refers to 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 and de ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Computational Chemistry
Computational chemistry is a branch of chemistry that uses computer simulation to assist in solving chemical problems. It uses methods of theoretical chemistry, incorporated into computer programs, to calculate the structures and properties of molecules, groups of molecules, and solids. It is essential because, apart from relatively recent results concerning the hydrogen molecular ion ( dihydrogen cation, see references therein for more details), the quantum many-body problem cannot be solved analytically, much less in closed form. While computational results normally complement the information obtained by chemical experiments, it can in some cases predict hitherto unobserved chemical phenomena. It is widely used in the design of new drugs and materials. Examples of such properties are structure (i.e., the expected positions of the constituent atoms), absolute and relative (interaction) energies, electronic charge density distributions, dipoles and higher multipole moments ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
