Toward structure-based predictive tools for the selection of chiral stationary phases for the chromatographic separation of enantiomers

Random Forest:  A Classification and Regression Tool for Compound Classification and QSAR Modeling

Vladimir Svetnik, Andy Liaw, Christopher Tong et al. · Journal of Chemical Information and Computer Sciences · 2003 · 3.6K citations

Computing, Medicinal Chemistry, Drug Discovery +16

Atom pairs as molecular features in structure-activity studies: definition and applications

Raymond E. Carhart, Dennis H. Smith, R. Venkataraghavan · Journal of Chemical Information and Computer Sciences · 1985 · 1.1K citations

Natural Sciences, Chemistry, Computational Chemistry +12

Macrocyclic Antibiotics as a New Class of Chiral Selectors for Liquid Chromatography

Daniel W. Armstrong, Yubing Tang, Shushi. Chen et al. · Analytical Chemistry · 1994 · 707 citations

Pharmacy, Medicinal Chemistry, Chromatographic Analysis +7

Host-guest complexation. 14. Host covalently bound to polystyrene resin for chromatographic resolution of enantiomers of amino acid and ester salts

G. D. Y. SOGAH, Donald J. Cram · Journal of the American Chemical Society · 1979 · 291 citations

Natural Sciences, Biochemistry, Chemistry +14

Chemical Similarity Using Physiochemical Property Descriptors

Simon K. Kearsley, Susan J Sallamack, Eugene M. Fluder et al. · Journal of Chemical Information and Computer Sciences · 1996 · 266 citations

Pharmacy, Chemistry, Medicinal Chemistry +17