Quantitative structure–property relationships in pharmaceutical research – Part 2

Iterative partial equalization of orbital electronegativity—a rapid access to atomic charges

Johann Gasteiger, Mario Marsili · Tetrahedron · 1980 · 4.1K citations

Physics, Electron Spectroscopy, Natural Sciences +5

Predicting Skin Permeability

Russell O. Potts, Richard H. Guy · Pharmaceutical Research · 1992 · 1.5K citations

A Mathematical Contribution to Structure-Activity Studies

Spencer M. Free, James W. Wilson · Journal of Medicinal Chemistry · 1964 · 941 citations

Quantitative Methods, Engineering, Mathematical Biophysics +18

Polar Molecular Surface Properties Predict the Intestinal Absorption of Drugs in Humans

Katrin Palm, Patric Stenberg, Kristina Luthman et al. · Pharmaceutical Research · 1997 · 746 citations

Quantitative structure—chromatographic retention relationships

Roman Kaliszan · European Journal of Medicinal Chemistry · 1988 · 646 citations · Full text

Medicine, Analytical Chemistry, Chromatographic Analysis +3