Publications and Presentations

SOT 2014

An Improved Workflow to Perform In Silico Mutagenicity Assessment of Impurities As Per ICH M7 Guideline; Suman Chakravarti, Alexander Sedykh, and Roustem Saiakhov; Society of Toxicology Meeting, Phoenix Arizona, March 2014.

Developing QSAR models of major human membrane transporters for the application in drug design and drug safety evaluations; Alexander Sedykh, Suman Chakravarti, and Roustem Saiakhov; Society of Toxicology Meeting, Phoenix Arizona, March 2014.

Interpretable QSAR of skin sensitization for screening cosmetics and environmental chemicals; Roustem Saiakhov, Suman Chakravarti, and Alexander Sedykh; Society of Toxicology Meeting, Phoenix Arizona, March 2014.

SOT 2013

A novel hybrid approach in combining a QSAR based expert system and a quantitative read across methodology to achieve better in silico genotoxicity assessment of drugs, impurities and metabolites; Suman Chakravrti, Roustem Saiakhov, Gilles Klopman; Society of Toxicology Meeting, San Antonio, TX; March 2013.

US FDA PRESENTATIONS

Development of Improved QSAR Models for Predicting A-T Base Pair Mutations; Lidiya Stavitskaya, Barbara L. Minnier, R. Daniel Benz, and Naomi L. Kruhlak; FDA Center for Drug Evaluation and Research (CDER); Genetic Toxicology Association Meeting, University of Delaware, October 2013.

Characterization and Application of an External Validation Set for Salmonella Mutagenicity QSAR Models Using Structural Fingerprints of Known Toxicophores; Naomi L. Kruhlak, Kevin P. Cross, Barbara L. Minnier, David A. Bower, R. Daniel Benz; Society of Toxicology Meeting, San Antonio, TX; March 2013.

RECENT PUBLICATIONS

Critical evaluation of human oral bioavailability for pharmaceutical drugs by using various cheminformatics approaches; Kim M.T., Sedykh A., Chakravarti S.K., Saiakhov R.D., Zhu H.; Pharm Res. 2014; 31(4):1002-14.

Effectiveness of CASE Ultra Expert System in Evaluating Adverse Effects of Drugs; Saiakhov, R.D., Chakravarti, S.K. and Klopman, G.; Molecular Informatics, 2012, 32, 87-97.

Optimizing predictive performance of CASE Ultra expert system models using the applicability domains of individual toxicity alerts; Chakravarti, S.K., Saiakhov, R.D. and Klopman, G., Journal of Chemical Information and Modeling, 2012, 52, 2609-2618.