James G. Nourse

Reoptimization of MDL Keys for Use in Drug Discovery

Joseph L. Durant, Burton A. Leland, Douglas R. Henry et al. · Journal of Chemical Information and Computer Sciences · 2002 · 1.8K citations

Drug Target, Molecular Biology, Chemical Biology +20

Description of several chemical structure file formats used by computer programs developed at Molecular Design Limited

A. E. Dalby, James G. Nourse, W. Douglas Hounshell et al. · Journal of Chemical Information and Computer Sciences · 1992 · 640 citations

Computer Programs, Engineering, Chemical Analysis +21

Applications of artificial intelligence for chemical inference. 37. GENOA: a computer program for structure elucidation utilizing overlapping and alternative substructures

Raymond E. Carhart, Dennis H. Smith, N. A. B. Gray et al. · The Journal of Organic Chemistry · 1981 · 88 citations

Artificial Intelligence, Chemical Engineering, Engineering +15

Nuclear magnetic resonance spectroscopy. Carbon-13 spectra of some macrolide antibiotics and derivatives. Substituent and conformational effects

James G. Nourse, John D. Roberts · Journal of the American Chemical Society · 1975 · 56 citations

The dendral project: recent advances in computer- assisted structure elucidation

Dennis H. Smith, N. A. B. Gray, James G. Nourse et al. · Analytica Chimica Acta · 1981 · 54 citations

Geometric Modeling, Dendral Project, Engineering +12