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Journal of Chemical Information and Computer Sciences|November 1, 1996
Assessment of n-octanol/water partition coefficient: when is the assessment reliable?V K Gombar, K EnsleinJournal of Chemical Information and Computer Sciences|September 1, 1996
Neural network approach to the prediction of the toxicity of benzothiazolium salts from molecular structureS Hatrík, P ZahradníkJournal of Chemical Information and Computer Sciences|July 1, 1996
Neural network studies. 2. Variable selectionI V Tetko, A E Villa, D J LivingstoneJournal of Chemical Information and Computer Sciences|January 1, 1996
Structure-odor relationships: using neural networks in the estimation of camphoraceous or fruity odors and olfactory thresholds of aliphatic alcoholsM Chastrette, D Cretin, C el AïdiJournal of Chemical Information and Computer Sciences|January 1, 1996
MOLMAKER: de novo generation of 3D databases for use in drug designD E Clark, M A Firth, C W MurrayJournal of Chemical Information and Computer Sciences|March 1, 1996
Development of neural network simulator for structure--activity correlation of molecules (NECO). Prediction of endo/exo substitution of norbornane derivatives and of carcinogenic activity of PAHs from 13C-NMR shiftsY Isu, U Nagashima, T Aoyama, et al.Journal of Chemical Information and Computer Sciences|March 1, 1997
META. 3. A genetic algorithm for metabolic transform priorities optimizationG Klopman, M Tu, J TalafousJournal of Chemical Information and Computer Sciences|October 14, 1998
Computational chemistry on commodity-type computersM C Nicklaus, R W Williams, B Bienfait, et al.Journal of Chemical Information and Computer Sciences|October 14, 1998
Four-dimensional quantitative structure-activity relationship analysis of a series of interphenylene 7-oxabicycloheptane oxazole thromboxane A2 receptor antagonistsM G Albuquerque, A J Hopfinger, E J Barreiro, et al.Journal of Chemical Information and Computer Sciences|February 22, 2002
Global molecular identification from graphs. Neutral and ionized main-group diatomic moleculesBryan James, Ken Caviness, Jonathan Geach, et al.Pageof 132