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Journal of Chemical Information and Computer Sciences|March 23, 2004
The Wiener distance matrix for acyclic compounds and polymersEvgenii A Smolenskii
Journal of Chemical Information and Computer Sciences|March 23, 2004
Comparison of an empirical and a theoretical linear solvation energy relationship applied to the characterization of solute distribution in a poly(ethylene) glycol-salt aqueous biphasic systemJonathan G Huddleston, Heather D Willauer, Marcel T Burney, et al.
Journal of Chemical Information and Computer Sciences|March 23, 2004
A chemical index inspired by biological plastic evolution: valence-isoelectronic series of aromaticsFrancisco Torrens
Journal of Chemical Information and Computer Sciences|March 23, 2004
Combinatorial QSAR of ambergris fragrance compoundsAssia Kovatcheva, Alexander Golbraikh, Scott Oloff, et al.
Journal of Chemical Information and Computer Sciences|March 23, 2004
Drug-like annotation and duplicate analysis of a 23-supplier chemical database totalling 2.7 million compoundsN Baurin, R Baker, C Richardson, et al.
Journal of Chemical Information and Computer Sciences|March 23, 2004
From knowledge generation to knowledge archive. A general strategy using TOPS-MODE with DEREK to formulate new alerts for skin sensitizationErnesto Estrada, Grace Patlewicz, Yaquelin Gutierrez
Journal of Chemical Information and Computer Sciences|March 23, 2004
Predicting protein-ligand binding affinities using novel geometrical descriptors and machine-learning methodsWei Deng, Curt Breneman, Mark J Embrechts
Journal of Chemical Information and Computer Sciences|September 28, 2004
Random walks and chemical graph theoryDouglas J Klein, José Luis Palacios, Milan Randić, et al.
Journal of Chemical Information and Computer Sciences|September 28, 2004
Prediction of homology model quality with multivariate regressionKristin Tøndel
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