Synthesis and evaluation of Quinoline-3-carbonitrile derivatives as potential antibacterial agents

AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

Oleg Trott, Arthur J. Olson · Journal of Computational Chemistry · 2009 · 37.1K citations · Full text

Pharmacy, Chemistry, Medicinal Chemistry +17

The use of quantum chemical methods in corrosion inhibitor studies

Gökhan Gece · Corrosion Science · 2008 · 1.3K citations

Natural Sciences, Materials Engineering, Materials Science +14

Generation of a Set of Simple, Interpretable ADMET Rules of Thumb

M. Paul Gleeson · Journal of Medicinal Chemistry · 2008 · 961 citations

Pharmacy, Medicinal Chemistry, Pharmacology +17

Application of the Principle of Hard and Soft Acids and Bases to Organic Chemistry

Ralph G. Pearson, Jon Songstad · Journal of the American Chemical Society · 1967 · 907 citations

Natural Sciences, Chemistry, Analytical Chemistry +6

Lipophilicity in drug discovery

Michael J. Waring · Expert Opinion on Drug Discovery · 2010 · 844 citations

Pharmacy, Medicinal Chemistry, Pharmacology +13