Potential choline kinase inhibitors: A molecular modeling study of bis-quinolinium compounds

Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins

Richard D. Cramer, David E. Patterson, Jeffrey D. Bunce · Journal of the American Chemical Society · 1988 · 3.9K citations

Life Sciences, Biochemistry, Pharmacology +14

Molecular Similarity Indices in a Comparative Analysis (CoMSIA) of Drug Molecules to Correlate and Predict Their Biological Activity

G. Klebe, Ute Abraham, Thomas Mietzner · Journal of Medicinal Chemistry · 1994 · 1.8K citations

Pharmacy, Medicinal Chemistry, Pharmacology +13

Computer-Intensive Methods in Statistics

Persi Diaconis, Bradley Efron · Scientific American · 1983 · 1.2K citations

Natural Sciences, Biostatistics, Computer Science +12

Atomic physicochemical parameters for three dimensional structure directed quantitative structure-activity relationships. 4. Additional parameters for hydrophobic and dispersive interactions and their application for an automated superposition of certain naturally occurring nucleoside antibiotics

Vellarkad N. Viswanadhan, Arup K. Ghose, Ganapathi R. Revankar et al. · Journal of Chemical Information and Computer Sciences · 1989 · 1.1K citations

Pharmacy, Chemistry, Medicinal Chemistry +15

Crossvalidation, Bootstrapping, and Partial Least Squares Compared with Multiple Regression in Conventional QSAR Studies

Richard D. Cramer, Jeffrey D. Bunce, David E. Patterson et al. · Quantitative Structure-Activity Relationships · 1988 · 840 citations

Pharmacy, Medicinal Chemistry, Drug Design +9