Basak

Molecular similarity has also been used directly to model toxicity. Bartlett et al. [63] found that the incidence of cutaneous rash from oral penicillins was a function of shape similarity to benzylpenicillin, and Basak et al. [64] used molecular similarity to model the mutagenicity of aromatic and heteroaromatic amines. 

Basak SC, Gute BD, Mills D, Hawkins DM. Quantitative molecular similarity methods in the property/toxicity estimation of chemicals a comparison of arbitrary versus tailored similarity spaces. J Mol Struct (Theochem) 2003 622 127-45. 

Basak SC, Mills D, Cute BD, Natarajan R (2006) Predicting Pharmacological and Toxicological Activity of Heterocyclic Compounds Using QSAR and Molecular Modeling. 

Gupta SP (2006) QSAR Studies on Calcium Channel Blockers. 4 249-287 Gupton JT (2006) Pyrrole Natm-al Products with Antitimior Properties. 2 53-92 Gute BD, see Basak SC (2006) 3 39-80... 

Bagchi, M. C., Mills, D., Basak, S. C. Quantitative structure-activity relationship (QSAR) studies of quinolone antibacterials against M. fortuitum and M. smegmatis using theoretical molecular descriptors. 

Niemi, G. J., Basak, S. C., Veith, G. D., Grunwald, G. D. Prediction of octanol water partition coeffident (fQ,w) using algorithmically-derived variables. Environ. Toxicol. Chem. 1992, 11, 893-900. 

S.C. Basak, V.R. Magnuson, G.J. Niems and R.R. Regal, Determining structural similarity of chemicals using graph-theoretic indices. Discr. Appl. Math., 19 (1988) 17-44. 

R9. Rowland, P., Basak, A. K., Gover, S., Levy, H. R., and Adams, M. J., The 3-dimensional structure of glucose-6-phosphate dehydrogenase from Leuconostoc mesenteroides refined at 2.0-angstrom resolution. Structure 2, 1073-1087 (1994). 

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