Dr. Basak's research interests include computational toxicology and molecular modeling. Research projects include: Integration of Biodescriptors and Chemodescriptors for Predictive Toxicology: A Mathematical/Computational Approach; Design of Novel and Environmentally Benign Photoactive Chemicals; Prediction of Health and Environmental Hazard of Chemicals: A Hierarchical Approach using QMSA and QSAR.
Background
PhD, Biochemistry, University of Calcutta, 1980
MS, Biochemistry, University of Calcutta, 1968
BA, University of Calcutta, 1966
Current Publications
Basak SC, Mills D, Natarajan R, Gute BD. 2009. Predicting chemical reactivity and bioactivity of molecules from structure. Chemical Reactivity Theory: A Density Functional View 47950.
Basak SC, Mills DR, Hawkins DM, Kraker JJ. 2009. Quantitative structure-activity relationship (QSAR) modeling of human blood:air partitioning with proper statistical methods and validation. Chemistry & Biodiversity 6:487-502.
Natarajan R, Basak SC. 2009. Numerical characterization of molecular chirality of organic compounds. Current Computer-Aided Drug Design 5:13-22.
Hawkins DM, Kruker, Basak SC, Mills DR. 2008. QsPR checking and validation: a case study with hydroxy radical. SAR and QSAR in Environmental Research 19:525-529.
Basak SC, Mills D, Hawkins DM. 2008. Predicting allergic contact dermatitis: a hierarchical structure-activity relationship (SAR) approach to chemical classification using topological and quantum chemical descriptors. Journal of Computer Aided Molecular Design 22:339-343.
