Literature DB >> 23402846

Interactive design of generic chemical patterns.

Karen T Schomburg1, Lars Wetzer, Matthias Rarey.   

Abstract

Every medicinal chemist has to create chemical patterns occasionally for querying databases, applying filters or describing functional groups. However, the representations of chemical patterns have been so far limited to languages with highly complex syntax, handicapping the application of patterns. Graphic pattern editors similar to chemical editors can facilitate the work with patterns. In this article, we review the interfaces of frequently used web search engines for chemical patterns. We take a look at pattern editing concepts of standalone chemical editors and finally present a completely new, unpublished graphical approach to pattern design, the SMARTSeditor.
Copyright © 2013 Elsevier Ltd. All rights reserved.

Mesh:

Substances:

Year:  2013        PMID: 23402846     DOI: 10.1016/j.drudis.2013.02.001

Source DB:  PubMed          Journal:  Drug Discov Today        ISSN: 1359-6446            Impact factor:   7.851


  2 in total

1.  Characterising Complex Enzyme Reaction Data.

Authors:  Handan Melike Dönertaş; Sergio Martínez Cuesta; Syed Asad Rahman; Janet M Thornton
Journal:  PLoS One       Date:  2016-02-03       Impact factor: 3.240

2.  SMARTS.plus - A Toolbox for Chemical Pattern Design.

Authors:  Christiane Ehrt; Bennet Krause; Robert Schmidt; Emanuel S R Ehmki; Matthias Rarey
Journal:  Mol Inform       Date:  2020-10-08       Impact factor: 3.353

  2 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.