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Chemical Nomenclatures and the Computer (Computers and Chemical Structure Information Series) ebook

by D. J. Polton


Computers & Chemical Engineering is primarily a journal of record for new developments in the application of computing and systems technology to chemical engineering problems.

Computers & Chemical Engineering is primarily a journal of record for new developments in the application of computing and systems technology to chemical engineering problems.

cle{N, title {Systematic chemical nomenclatures in the computer age}, author {G. H. Kirby and Donald J. Polton}, journal {Journal of Chemical Information and Computer Sciences}, year {1993}, volume {33}, pages {560-563} }. G. Kirby, Donald J. Polton. Published in. Journal of Chemical Information and Computer.

Chemical information extracted from literature is of immense value for pharmaceutical and chemical industries in. .But, lack of a single universal standard for chemical structure and nomenclature representation has posed significant challenges in mining the chemical information.

Chemical information extracted from literature is of immense value for pharmaceutical and chemical industries in many areas that include supporting drug discovery, manufacturing processes, or intellectual property protection.

Results from Google Books. chemical information (1) rsp (1). refresh. Member recommendations.

These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves

The attention of software developers and users is drawn to current problems in redirecting all data input to be read from files and in allowing alternative entry points which avoid repeated initialisation. These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

And so, the Division of Chemical Nomenclature and Structure Representation5 was established on 1.

And so, the Division of Chemical Nomenclature and Structure Representation5 was established on 1 January 2002. So What Will the New Division Be Doing? Most importantly, it will bring together work on nomenclature of chemical compounds with development of other methods of designating chemical structures. The Chemical Identifier project is a first step in this direction. It will also be tackling interdisciplinary issues that have been difficult to deal with hitherto.

A chemical nomenclature is a set of rules to generate systematic names for chemical compounds. The nomenclature used most frequently worldwide is the one created and developed by the International Union of Pure and Applied Chemistry (IUPAC). The IUPAC's rules for naming organic and inorganic compounds are contained in two publications, known as the Blue Book and the Red Book, respectively.

Representing a chemical structure How much information do you want to.59 Nomenclature generation most systematic nomenclature is based on ring systems –need to identify/prioritise ring systems first –identify standard.

Representing a chemical structure How much information do you want to include? –atoms present –connections between atoms bond types (aromatic ring identification) –stereochemical configuration –charges –isotopes –3D-coordinates for atoms. Presentation on theme: "Computer Structure Codes (after lectures by Dr.

How computer systems interpret various kinds of chemical names, formulas, and other identifiers in chemically meaningful ways. What kind of information about chemical structure a computer program can and cannot derive from different representations and identifiers. How a connection table represents chemical structure

Read instantly in your browser.

Read instantly in your browser. Computational Chemical Graph Theory: Characterization, Enumeration, and Generation of Chemical Structures by Computer Methods (Ellis Horwood Series). by N. Trinajstic (Author), S. Nikolic (Author), J. V. Knop (Author), W. R. Muller (Author), K. Szymanski (Author) & 2 more.

Examines several new systems of naming chemical structures using computer techniques. Their disadvantages have been exposed and this has led to the development of an alternative system more amenable to contemporary processing methods. Highlights problem areas with nomenclature along with a comparison of its various forms.
Chemical Nomenclatures and the Computer (Computers and Chemical Structure Information Series) ebook
Author:
D. J. Polton
Category:
Chemistry
Subcat:
EPUB size:
1911 kb
FB2 size:
1612 kb
DJVU size:
1649 kb
Language:
Publisher:
*Research Studies Press; 1 edition (November 1993)
Pages:
276 pages
Rating:
4.9
Other formats:
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