Multivariate quantitative structure-toxicity relationships in a series of dopamine mimetics

Strategic approaches to drug design. I. An integrated software framework for molecular modelling

Jeremy G. Vinter, Andy Davis, Martin Saunders · Journal of Computer-Aided Molecular Design · 1987 · 323 citations

Medicinal Chemistry, Molecular Modeling, Biochemistry +13

Similarity models in organic chemistry, biochemistry, and related fields

Romuald I. Zalewski, Tadeusz M. Krygowski, John Shorter · Medical Entomology and Zoology · 1991 · 163 citations

COSMIC(90): An improved molecular mechanics treatment of hydrocarbons and conjugated systems

Sam Morley, Raymond J. Abraham, Ian S. Haworth et al. · Journal of Computer-Aided Molecular Design · 1991 · 71 citations

Engineering, Physics, Natural Sciences +7

Computer analysis of toxicological data bases: Mutagenicity of aromatic amines in <i>Salmonella</i> tester strains

Gilles Klopman, Manton R. Frierson, Herbert S. Rosenkranz · Environmental Mutagenesis · 1985 · 65 citations

An orthogonal feature selection method

Bruce R. Kowalski, Charles F. Bender · Pattern Recognition · 1976 · 62 citations

Engineering, Data Science, Pattern Recognition +5