Subhash Basak

Center for Water
and the Environment
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Subhash Basak, PhD, Senior Research Associate

Subhash Basak

Position and Focus

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.
  • Natarajan R, Basak SC, Mills D, Kraker JJ, Hawkins DM. 2008. Quantitative structure-activity relationship modeling of mosquito repellents usuing calculated descriptors. Croatica Chemica Acta 81(2):333-340.
  • 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.
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