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
Current Topics in Medicinal Chemistry
Title: Integration of Computational Analysis as a Sentinel Tool in Toxicological Assessments
Volume: 1 Issue: 4
Author(s): Greg M. Pearl, Sondra Livingston-Carr and Stephen K. Durham
Affiliation:
Keywords: Computational Analysis, Mutagenicity, Carcinogenicity, Teratogenicity, TOPKAT, MULTICASE, DEREK, quantitative structure, activity relationship (QSAR, Validation
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.
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Cite this article as:
Pearl M. Greg, Livingston-Carr Sondra and Durham K. Stephen, Integration of Computational Analysis as a Sentinel Tool in Toxicological Assessments, Current Topics in Medicinal Chemistry 2001; 1 (4) . https://dx.doi.org/10.2174/1568026013395074
DOI https://dx.doi.org/10.2174/1568026013395074 |
Print ISSN 1568-0266 |
Publisher Name Bentham Science Publisher |
Online ISSN 1873-4294 |
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