Blood–brain barrier permeability mechanisms in view of quantitative structure–activity relationships (QSAR)

The Importance of Being Earnest: Validation is the Absolute Essential for Successful Application and Interpretation of QSPR Models

Alexander Tropsha, Paola Gramatica, Vijay K. Gombar · QSAR & Combinatorial Science · 2003 · 2.2K citations

Pharmacy, Medicinal Chemistry, Drug Design +16

Polar Molecular Surface as a Dominating Determinant for Oral Absorption and Brain Penetration of Drugs

J. Kelder, Peter D. J. Grootenhuis, Denis M. Bayada et al. · Pharmaceutical Research · 1999 · 799 citations

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Passive Permeability and P-Glycoprotein-Mediated Efflux Differentiate Central Nervous System (CNS) and Non-CNS Marketed Drugs

Kelly M. Mahar Doan, Joan E. Humphreys, Lindsey O. Webster et al. · Journal of Pharmacology and Experimental Therapeutics · 2002 · 626 citations

Pharmacy, Pharmacokinetics, Pharmacology +17

Development of a new physicochemical model for brain penetration and its application to the design of centrally acting H2 receptor histamine antagonists

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Pharmacy, Medicinal Chemistry, Pharmacology +15

Rapid calculation of polar molecular surface area and its application to the prediction of transport phenomena. 2. Prediction of blood–brain barrier penetration

David E. Clark · Journal of Pharmaceutical Sciences · 1999 · 516 citations

Natural Sciences, Biophysics, Biological Transport Phenomena +16