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Current Topics in Medicinal Chemistry

Editor-in-Chief

ISSN (Print): 1568-0266
ISSN (Online): 1873-4294

Integration of Computational Analysis as a Sentinel Tool in Toxicological Assessments

Author(s): Greg M. Pearl, Sondra Livingston-Carr and Stephen K. Durham

Volume 1, Issue 4, 2001

Page: [247 - 255] Pages: 9

DOI: 10.2174/1568026013395074

Price: $65

Abstract

Computational toxicity modeling can have significant impact in the drug discovery process, especially when utilized as a sentinel filter for common drug safety liabilities, such as mutagenicity, carcinogenicity and teratogenicity. This review will focus on the strengths and limitations of the current computational models for predicting these drug safety liabilities, and the various strategies for incorporating these predictive models into the drug discovery process.

Keywords: Computational Analysis, Mutagenicity, Carcinogenicity, Teratogenicity, TOPKAT, MULTICASE, DEREK, quantitative structure, activity relationship (QSAR, Validation


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