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THE PHARMA REVIEW (DECEMBER, 2007 - JANUARY, 2008) |
In Silico ADME Predictions Using Quantitative Structure Pharmacokinetic Relationships. Part III: Methodologies and Updated Literature Review
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Bhupinder Singh, Yash Paul, Manish Grover and Dimple Sethi
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Abstract: The use of in silico approaches for successful prediction of pharmacokinetic properties of compounds during new drug discovery has been increasing exponentially. These in silico models, for the prognosis of absorption, distribution, metabolism and excretion (ADME), are invariably based upon the implementation of quantitative structure pharmacokinetic relationship (QSPR) techniques. Part one encompassed the rudimentary background, aims and merits of QSPR studies, its literature inquest and pharmacokinetic parameters used for construction of a QSPR1. Part two described the various structural descriptors required for construction of a QSPR2. Part three in the current manuscript explains the multivariate statistical and non-statistical techniques, software support and updated literature reports on various QSPR studies, as reported in man and animals.
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