Accessing and using chemical databases.

Publication: Research - peer-reviewBook chapter – Annual report year: 2013

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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.
Original languageEnglish
TitleComputational Toxicology
EditorsBrad Reisfeld, Arthur N. Mayeno
Volume2
PublisherSpringer Science+Business Media B.V.
Publication date2013
Pages29-52
Chapter2
DOIs
StatePublished
NameMethods in Molecular Biology
Volume930
ISSN (Print)1064-3745
CitationsWeb of Science® Times Cited: No match on DOI

Keywords

  • Chemical database, Molecular modeling, Cheminformatics
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