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In an earlier paper (Ghose A. K.; Crippen, G. M. J. Comput. Chem. 1986, 7, 565) the need of atomic physicochemical properties for three-dimensional-structure-directed quantitative structure-activity relationships was demonstrated, and it was shown how atomic parameters can be developed to successfully evaluate the molecular water-1-octanol partition(More)
  • Arup K. Ghose, Torsten Herbertz, Robert L. Hudkins, Bruce D. Dorsey, John P. Mallamo
  • 2012
The central nervous system (CNS) is the major area that is affected by aging. Alzheimer's disease (AD), Parkinson's disease (PD), brain cancer, and stroke are the CNS diseases that will cost trillions of dollars for their treatment. Achievement of appropriate blood−brain barrier (BBB) penetration is often considered a significant hurdle in the CNS drug(More)
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