Cheminformatic Analysis of Natural Products and their Chemical Space

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

Key:
Free Content - Free Content
New Content - New Content
Subscribed Content - Subscribed Content
Free Trial Content - Free Trial Content

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: 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

The full text electronic article is available for purchase. You will be able to download the full text electronic article after payment.

$28.00 plus tax      Refund Policy

 

OR

Back to top

Key:
Free Content - Free Content
New Content - New Content
Subscribed Content - Subscribed Content
Free Trial Content - Free Trial Content
Share this item with others: These icons link to social bookmarking sites where readers can share and discover new web pages.
Page Help Click here for Page Help
Shopping cart
Tools
Sign in






Need to register?
Sign up here
Text size: A | A | A | A