Discovery of new β-d-glucosidase inhibitors via pharmacophore modeling and QSAR analysis followed by in silico screening

Molecular Properties That Influence the Oral Bioavailability of Drug Candidates

Daniel F. Veber, Stephen R. Johnson, Hung‐Yuan Cheng et al. · Journal of Medicinal Chemistry · 2002 · 8.1K citations

Pharmacy, Pharmacokinetics, Pharmacology +15

ZINC − A Free Database of Commercially Available Compounds for Virtual Screening

John J. Irwin, Brian K. Shoichet · Journal of Chemical Information and Modeling · 2004 · 4.1K citations · Full text

Pharmacy, Chemistry, Medicinal Chemistry +15

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

Sugar-mimic glycosidase inhibitors: natural occurrence, biological activity and prospects for therapeutic application

Naoki Asano, Robert J. Nash, Russell J. Molyneux et al. · Tetrahedron Asymmetry · 2000 · 1K citations

Life Sciences, Medicinal Chemistry, Pharmacology +17

Paired Orbitals for Different Spins equations

Igor L. Zilberberg, Sergey Ph. Ruzankin · arXiv (Cornell University) · 2008 · 708 citations · Full text

Natural Sciences, Chemistry, Physics +17