Gerta Rücker, Christoph Rücker Substructure, Subgraph, and Walk Counts as Measures of the Complexity of Graphs and Molecules. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Computer Sciences, 2001, v:41, n:6, pp:1457-1462 [Journal]
Draen Viki-Topi, Ljupo Pejov On the Choice of Optimal Methodology for Calculation of 13C and 1H NMR Isotropic Chemical Shifts in Cagelike Systems. Case Studies of Adamantane, 2-Adamantanone, and 2, 4-Methano-2, 4-dehydroadamantane. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Computer Sciences, 2001, v:41, n:6, pp:1478-1487 [Journal]
Andrei A. Gakh, Michael N. Burnett Modular Chemical Descriptor Language (MCDL): Composition, Connectivity, and Supplementary Modules. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Computer Sciences, 2001, v:41, n:6, pp:1494-1499 [Journal]
Christoph Steinbeck SENECA: A Platform-Independent, Distributed, and Parallel System for Computer-Assisted Structure Elucidation in Organic Chemistry. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Computer Sciences, 2001, v:41, n:6, pp:1500-1507 [Journal]
Jens Meiler, Martin Will Automated Structure Elucidation of Organic Molecules from 13C NMR Spectra Using Genetic Algorithms and Neural Networks. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Computer Sciences, 2001, v:41, n:6, pp:1535-1546 [Journal]
Kathryne Esperdy, Donald D. Shillady Simulated Infrared Spectra of Ho(III) and Gd(III) Chlorides and Carboxylate Complexes Using Effective Core Potentials in GAMESS. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Computer Sciences, 2001, v:41, n:6, pp:1547-1552 [Journal]
Gregory W. Kauffman, Peter C. Jurs QSAR and k-Nearest Neighbor Classification Analysis of Selective Cyclooxygenase-2 Inhibitors Using Topologically-Based Numerical Descriptors. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Computer Sciences, 2001, v:41, n:6, pp:1553-1560 [Journal]
Pierre Bruneau Search for Predictive Generic Model of Aqueous Solubility Using Bayesian Neural Nets. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Computer Sciences, 2001, v:41, n:6, pp:1605-1616 [Journal]
John B. O. Mitchell The Relationship between the Sequence Identities of Alpha Helical Proteins in the PDB and the Molecular Similarities of Their Ligands. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Computer Sciences, 2001, v:41, n:6, pp:1617-1622 [Journal]
Ruifeng Liu, Hongmao Sun, Sung-Sau So Development of Quantitative Structure-Property Relationship Models for Early ADME Evaluation in Drug Discovery. 2. Blood-Brain Barrier Penetration. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Computer Sciences, 2001, v:41, n:6, pp:1623-1632 [Journal]
Ruifeng Liu, Sung-Sau So Development of Quantitative Structure-Property Relationship Models for Early ADME Evaluation in Drug Discovery. 1. Aqueous Solubility. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Computer Sciences, 2001, v:41, n:6, pp:1633-1639 [Journal]
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