Ligand efficiency indices as guideposts for drug discovery

Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties

Peter Ertl, Bernhard Rohde, Paul M. Selzer · Journal of Medicinal Chemistry · 2000 · 3K citations

Pharmacy, Chemistry, Pharmacology +15

The Properties of Known Drugs. 1. Molecular Frameworks

Guy W. Bemis, Mark A. Murcko · Journal of Medicinal Chemistry · 1996 · 2.5K citations

Pharmacy, Medicinal Chemistry, Drug Design +6

Prediction of Drug Absorption Using Multivariate Statistics

William J. Egan, Kenneth M. Merz, John J. Baldwin · Journal of Medicinal Chemistry · 2000 · 1.9K citations

Pharmacy, Medicinal Chemistry, Pharmacology +14

Property Distributions:  Differences between Drugs, Natural Products, and Molecules from Combinatorial Chemistry

Miklós Fehér, Jonathan M. Schmidt · Journal of Chemical Information and Computer Sciences · 2002 · 921 citations

Pharmacy, Chemistry, Medicinal Chemistry +16

The maximal affinity of ligands

Irwin D. Kuntz, K. Chen, Kim A. Sharp et al. · Proceedings of the National Academy of Sciences · 1999 · 845 citations

Natural Sciences, Chemistry, Biophysical Chemistry +16