Willett, P. orcid.org/0000-0003-4591-7173 (2016) Special Issue: Chemoinformatics. Molecules, 21 (4). 535. ISSN 1431-5157
Abstract
Chemoinformatics techniques were originally developed for the construction and searching of large archives of chemical structures but they were soon applied to problems in drug discovery and are now playing an increasingly important role in many additional areas of chemistry. This Special Issue contains seven original research articles and four review articles that provide an introduction to several aspects of this rapidly developing field.
Metadata
Item Type: | Article |
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | This is an open access article distributed under the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0/) which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. |
Keywords: | chemoinformatics; docking; force-field parameter; ligand-based virtual screening; molecular dynamics; molecular similarity; pharmacophore; structure-activity relationships; virtual screening |
Dates: |
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Institution: | The University of Sheffield |
Academic Units: | The University of Sheffield > Faculty of Social Sciences (Sheffield) > Information School (Sheffield) |
Depositing User: | Symplectic Sheffield |
Date Deposited: | 04 May 2016 12:51 |
Last Modified: | 04 May 2016 12:52 |
Published Version: | http://dx.doi.org/10.3390/molecules21040535 |
Status: | Published |
Publisher: | MDPI |
Refereed: | Yes |
Identification Number: | 10.3390/molecules21040535 |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:98943 |