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Journal of Chemical Information and Computer Sciences|September 28, 2004
Resonance energy in graphiteIstván LukovitsJournal of Chemical Information and Computer Sciences|September 28, 2004
Some basic data structures and algorithms for chemical generic programmingWei Zhang, Tingjun Hou, Xuebin Qiao, et al.Journal of Chemical Information and Computer Sciences|September 28, 2004
Information content in organic molecules: reaction pathway analysis via Brownian processingDaniel J Graham, Matthew V SchulmerichJournal of Chemical Information and Computer Sciences|September 28, 2004
Effect of molecular descriptor feature selection in support vector machine classification of pharmacokinetic and toxicological properties of chemical agentsY Xue, Z R Li, C W Yap, et al.Journal of Chemical Information and Computer Sciences|September 28, 2004
QSAR models for the prediction of binding affinities to human serum albumin using the heuristic method and a support vector machineC X Xue, R S Zhang, H X Liu, et al.Journal of Chemical Information and Computer Sciences|September 28, 2004
Determination of lithium cation basicity from molecular structureJesús Jover, Ramón Bosque, Joaquim SalesJournal of Chemical Information and Computer Sciences|September 28, 2004
Structure elucidation from 2D NMR spectra using the StrucEluc expert system: detection and removal of contradictions in the dataSergey G Molodtsov, Mikhail E Elyashberg, Kirill A Blinov, et al.Journal of Chemical Information and Computer Sciences|September 28, 2004
Defining privileged reagents using subsimilarity comparisonBrett A Tounge, Charles H ReynoldsJournal of Chemical Information and Computer Sciences|September 28, 2004
A ligand-based molecular modeling study on some matrix metalloproteinase-1 inhibitors using several 3D QSAR techniquesKeng-Chang Tsai, Thy-Hou LinJournal of Chemical Information and Computer Sciences|July 27, 2004
The most stable class of benzenoid hydrocarbons-new topological correlations of strain-free total resonant sextet benzenoidsJerry Ray DiasPageof 132