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Rabies being the most lethal zoonotic, vaccine-preventable viral disease with worldwide distribution of reservoir wild animals presents unique challenges for its diagnosis, management and control. Although vaccines available are highly effective, which had played the key role in controlling rabies in North America, western Europe and in a number of Asian(More)
A study of our database of 7,000 QSARs involving chemical-biological interaction uncovered 11 examples where the QSARs all contain inverted parabolas based on molecular refractivity. That is, biological activity first decreases with increase in MR and then increases. Two of the examples are for enzymes: cyclooxygenase and trypsin. The others are for various(More)
The prediction of biological activity of a chemical compound from its structural features plays an important role in drug design. In this paper, we discuss the quantitative structure activity relationship (QSAR) prediction models developed on a dataset of 170 HIV protease enzyme inhibitors. Various chemical descriptors that encode hydrophobic, topological,(More)
In this report we consider the effect of substituents on phenol toxicity and show how the parameters used in Quantitative Structure-Activity Relationships (QSAR) can be used to draw mechanistic inferences of value in understanding the reasons behind the various types of toxicity. In particular, we are interested in gaining clearer insight into mechanisms(More)
Cigarette smoke is a complex aerosol of minute liquid droplets (termed the particulate phase) suspended within a mixture of gases (CO(2), CO, NO(x), etc.) and semi-volatile compounds. The International Agency for Research on Cancer (IARC) has classified a number of the chemical constituents reported in cigarette mainstream smoke (MS) as carcinogens.(More)