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Sci. Pharm.
Volume 76
Issue 1
10.3797/scipharm.0802-05
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Article

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

by
Rita SCHWAHA
and
Gerhard F. ECKER
*
Emerging Field Pharmacoinformatics, Department of Medicinal Chemistry, University of Vienna, Althanstrasse 14, 1090 Vienna, Austria
*
Author to whom correspondence should be addressed.
Sci. Pharm. 2008, 76(1), 5-18; https://doi.org/10.3797/scipharm.0802-05
Submission received: 20 February 2008 / Accepted: 29 February 2008 / Published: 30 March 2008
Versions Notes

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

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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. https://doi.org/10.3797/scipharm.0802-05

AMA Style

SCHWAHA R, ECKER GF. The Similarity Principle – New Trends and Applications in Ligand-Based Drug Discovery and ADMET Profiling. Scientia Pharmaceutica. 2008; 76(1):5-18. https://doi.org/10.3797/scipharm.0802-05

Chicago/Turabian Style

SCHWAHA, Rita, and Gerhard F. ECKER. 2008. "The Similarity Principle – New Trends and Applications in Ligand-Based Drug Discovery and ADMET Profiling" Scientia Pharmaceutica 76, no. 1: 5-18. https://doi.org/10.3797/scipharm.0802-05

APA Style

SCHWAHA, R., & ECKER, G. F. (2008). The Similarity Principle – New Trends and Applications in Ligand-Based Drug Discovery and ADMET Profiling. Scientia Pharmaceutica, 76(1), 5-18. https://doi.org/10.3797/scipharm.0802-05

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