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Book chapter · Journal article

Accessing and using chemical databases

By Nikolov, Nikolai Georgiev1,2; Pavlov, Todor3; Niemelä, Jay Russell1; Mekenyan, Ovanes3

Edited by Mayeno, Arthur N.; Reisfeld, Brad

From

National Food Institute, Technical University of Denmark1

Division of Toxicology and Risk Assessment, National Food Institute, Technical University of Denmark2

University ‘Prof. Asses Zlatarov’3

Computer-based representation of chemicals makes it possible to organize data in chemical databases-collections of chemical structures and associated properties. Databases are widely used wherever efficient processing of chemical information is needed, including search, storage, retrieval, and dissemination.

Structure and functionality of chemical databases are considered. The typical kinds of information found in a chemical database are considered-identification, structural, and associated data. Functionality of chemical databases is presented, with examples of search and access types. More details are included about the OASIS database and platform and the Danish (Q)SAR Database online.

Various types of chemical database resources are discussed, together with a list of examples.

Language: English
Publisher: Springer Science+Business Media
Year: 2013
Pages: 29-52
Series: Methods in Molecular Biology
ISBN: 1627030581 , 162703059X , 162703059x , 9781627030588 and 9781627030595
ISSN: 10643745 and 19406029
Types: Book chapter and Journal article
DOI: 10.1007/978-1-62703-059-5_2
ORCIDs: Nikolov, Nikolai Georgiev
Keywords

Chemical database Cheminformatics Molecular modeling

Other keywords

Animals Databases, Chemical Information Storage and Retrieval Internet Mice Models, Molecular Rats

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