Publication: Research - peer-review › Book chapter – Annual report year: 2013
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.
|Title of host publication||Computational Toxicology|
|Editors||Brad Reisfeld, Arthur N. Mayeno|
|Publisher||Springer Science+Business Media B.V.|
|Name||Methods in Molecular Biology|
|Citations||Web of Science® Times Cited: No match on DOI|
- Chemical database, Molecular modeling, Cheminformatics