Literature DB >> 20838963

Some Trends in Chem(o)informatics.

Wendy A Warr1.   

Abstract

This introductory chapter gives a brief overview of the history of cheminformatics, and then summarizes some recent trends in computing, cultures, open systems, chemical structure representation, docking, de novo design, fragment-based drug design, molecular similarity, quantitative structure-activity relationships (QSAR), metabolite prediction, the use of phamacophores in drug discovery, data reduction and visualization, and text mining. The aim is to set the scene for the more detailed exposition of these topics in the later chapters.

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Year:  2011        PMID: 20838963     DOI: 10.1007/978-1-60761-839-3_1

Source DB:  PubMed          Journal:  Methods Mol Biol        ISSN: 1064-3745


  7 in total

1.  Are molecular alphabets universal enabling factors for the evolution of complex life?

Authors:  Ian S Dunn
Journal:  Orig Life Evol Biosph       Date:  2014-02-09       Impact factor: 1.950

Review 2.  Fragment-based drug discovery using NMR spectroscopy.

Authors:  Mary J Harner; Andreas O Frank; Stephen W Fesik
Journal:  J Biomol NMR       Date:  2013-05-18       Impact factor: 2.835

3.  Entering new publication territory in chemoinformatics and chemical information science.

Authors:  Jürgen Bajorath
Journal:  F1000Res       Date:  2015-02-04

4.  Understanding the foundations of the structural similarities between marketed drugs and endogenous human metabolites.

Authors:  Steve O'Hagan; Douglas B Kell
Journal:  Front Pharmacol       Date:  2015-05-13       Impact factor: 5.810

5.  PubChem chemical structure standardization.

Authors:  Volker D Hähnke; Sunghwan Kim; Evan E Bolton
Journal:  J Cheminform       Date:  2018-08-10       Impact factor: 5.514

6.  Repositioning the Chemical Information Science Gateway.

Authors:  Jürgen Bajorath
Journal:  F1000Res       Date:  2019-06-27

7.  Cheminformatics and the Semantic Web: adding value with linked data and enhanced provenance.

Authors:  Jeremy G Frey; Colin L Bird
Journal:  Wiley Interdiscip Rev Comput Mol Sci       Date:  2013-01-08
  7 in total

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