Integration of Computational Analysis as a Sentinel Tool in Toxicological Assessments

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.

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