Authors: Wetzel, Stefan¹; Schuffenhauer, Ansgar²; Roggo, Silvio²; Ertl, Peter²; Waldmann, Herbert³

Source: CHIMIA International Journal for Chemistry, Volume 61, Number 6, June 2007 , pp. 355-360(6)

Publisher: Swiss Chemical Society

Abstract:

Cheminformatic methods allow the detailed characterization of particular and characteristic properties of natural products (NPs) and comparison with related characteristics of drugs and other compounds. An overview of the most important properties of natural products and analogues and their difference with respect to drugs and synthetic compounds is presented. Moreover, different approaches to charting the chemical space populated by natural products are reviewed and their underlying principles are delineated. Some insights about NP chemical space are described together with possible applications of methods charting chemical space. Strengths and weaknesses of the different approaches will be discussed with respect to possible applications in compound collection design.

Keywords: CHEMICAL SPACE; CHEMGPS; CHEMINFORMATICS; NATURAL PRODUCTS; SCONP

Document Type: Research article

DOI: http://dx.doi.org/10.2533/chimia.2007.355

Affiliations: 1: Max-Planck Institut für Molekulare Physiologie, Abteilung IV -Chemische Biologie, Otto-Hahn-Strasse 11, D-44229 Dortmund and Universität Dortmund, Chemische Biologie, Dortmund 2: Novartis Institutes for BioMedical Research, CH-4002 Basel 3: Tel.: + 49 231 133 2400, Max-Planck Institut für Molekulare Physiologie, Abteilung IV -Chemische Biologie, Otto-Hahn-Strasse 11, D-44229 Dortmund and Universität Dortmund, Chemische Biologie, Dortmund, Fax: + 49 231 133 2499, Email: herbert.waldmann@mpi-dortmund.mpg.de

Publication date: 2007-06-01

More about this publication?

• International Journal for Chemistry and Official Membership Journal of the Swiss Chemical Society (SCS) and its Divisions
  
  CHIMIA, a scientific journal for chemistry in the broadest sense, is published 10 times a year and covers the interests of a wide and diverse readership. Contributions from all fields of chemistry and related areas are considered for publication in the form of Review Articles and Notes. A characteristic feature of CHIMIA are the thematic issues, each devoted to an area of great current significance.

• Editorial Board
• Information for Authors
• Subscribe to this Title
• Information for Advertisers
• ingentaconnect is not responsible for the content or availability of external websites

Related content

• In this: publication
• By this: publisher
• In this Subject: Biotechnology ,  Chemistry ,  Biochemistry
• By this author: Wetzel, Stefan ;  Schuffenhauer, Ansgar ;  Roggo, Silvio ;  Ertl, Peter ;  Waldmann, Herbert

Website © Publishing Technology. Article copyright remains with the publisher, society or author(s) as specified within the article.

• Terms and conditions
• Privacy policy
• Information for advertisers