Evaluating the role of molecular polar surface area on cell permeation : A multivariate model /

Yasmine Magdy Mandour

Evaluating the role of molecular polar surface area on cell permeation : A multivariate model / Yasmine Magdy Mandour ; Supervised Stefan Laufer , Raimund Niess , Thomas Scior - Cairo : Yasmine Magdy Mandour , 2010 - 142Leaves : charts , facsimiles ; 30cm

Thesis (M.Sc.) - German University - Faculty of Postgraduate Studies and Scientific Research - Department of Pharmaceutical Chemistry

Recent drug design strategies consider the pharmacokinetic properties of drug candidates at early stages of drug development prior to any clinical trials . For some years , many in silico ADME screens have been developed . Polar surfce area (PSA) has been a very popular descriptor for the prediction of drug absorption . This descriptor seems to encode an optimal combination of hydrogen bonding features , molecular polarity and solubility properties
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