Next Article in Journal
On the Synthesis and Reactivity of 4-(Oxiran-2-ylmethoxy)cinnoline: Targeting a Cinnoline Analogue of Propranolol
Previous Article in Journal
Editorial
Article Menu

Article Versions

Export Article

Open AccessArticle
Sci. Pharm. 2008, 76(1), 5-18; doi:10.3797/scipharm.0802-05 (registering DOI)

The Similarity Principle – New Trends and Applications in Ligand-Based Drug Discovery and ADMET Profiling

Emerging Field Pharmacoinformatics, Department of Medicinal Chemistry, University of Vienna, Althanstrasse 14, 1090 Vienna, Austria
*
Author to whom correspondence should be addressed.
Received: 20 February 2008 / Accepted: 29 February 2008 / Published: 30 March 2008
Download PDF [259 KB, uploaded 27 December 2016]

Abstract

Abstract Structural similarity is one of the basic underlying principles in drug discovery and development. Numerous algorithms and concepts are known to search compound libraries for analogous compounds assuming that similar compounds show similar biological activity. In recent years the focus shifted towards more complex methods using 3D-shape similarities on one side and highly reductionistic approaches such as smiles substrings on the other side. Furthermore, pharmacological activity profiling becomes increasingly important. Within this review we will highlight selected new concepts and methods applying similarity metrics in the drug discovery and development process.
Keywords: similarity calculation; shape similarity; pharmacological activity profiling; in silico screening similarity calculation; shape similarity; pharmacological activity profiling; in silico screening
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

Scifeed alert for new publications

Never miss any articles matching your research from any publisher
  • Get alerts for new papers matching your research
  • Find out the new papers from selected authors
  • Updated daily for 49'000+ journals and 6000+ publishers
  • Define your Scifeed now

SciFeed Share & Cite This Article

MDPI and ACS Style

SCHWAHA, R.; ECKER, G.F. The Similarity Principle – New Trends and Applications in Ligand-Based Drug Discovery and ADMET Profiling. Sci. Pharm. 2008, 76, 5-18.

Show more citation formats Show less citations formats

Article Metrics

Article Access Statistics

1

Comments

[Return to top]
Sci. Pharm. EISSN 2218-0532 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert
Back to Top