- Patrick W. Fowler, Kevin M. Rogers:
Spiral Codes and Goldberg Representations of Icosahedral Fullerenes and Octahedral Analogues. J. Chem. Inf. Comput. Sci. 41(1): 108-111 (2001) - Andrei A. Gakh, Michael N. Burnett:
Modular Chemical Descriptor Language (MCDL): Composition, Connectivity, and Supplementary Modules. J. Chem. Inf. Comput. Sci. 41(6): 1494-1499 (2001) - Hua Gao:
Application of BCUT Metrics and Genetic Algorithm in Binary QSAR Analysis. J. Chem. Inf. Comput. Sci. 41(2): 402-407 (2001) - Georgios V. Gkoutos
, Philip R. Kenway, Henry S. Rzepa:
JChemTidy: A Tool for Converting Chemical Web Document Collections to an XHTML Representation. J. Chem. Inf. Comput. Sci. 41(2): 253-258 (2001) - Georgios V. Gkoutos
, Peter Murray-Rust, Henry S. Rzepa, Michael Wright:
Chemical Markup, XML, and the World-Wide Web. 3. Toward a Signed Semantic Chemical Web of Trust. J. Chem. Inf. Comput. Sci. 41(5): 1124-1130 (2001) - Jeffrey W. Godden, Jürgen Bajorath:
Differential Shannon Entropy as a Sensitive Measure of Differences in Database Variability of Molecular Descriptors. J. Chem. Inf. Comput. Sci. 41(4): 1060-1066 (2001) - Keigo Gohda, Daisaku Ohta
, Genji Iwasaki, Peter Ertl
, Olivier Jacob:
Computational Modeling of a Binding Conformation of the Intermediate L-Histidinal to Histidinol Dehydrogenase. J. Chem. Inf. Comput. Sci. 41(2): 196-201 (2001) - Alexander Golbraikh, Danail Bonchev, Alexander Tropsha:
Novel Chirality Descriptors Derived from Molecular Topology. J. Chem. Inf. Comput. Sci. 41(1): 147-158 (2001) - Edward T. Graham, Stephen P. Jacober, Mario G. Cardozo:
A Novel Frequency Distribution Selection Method for Efficient Plate Layout of a Diverse Combinatorial Library. J. Chem. Inf. Comput. Sci. 41(6): 1508-1516 (2001) - Xiaofeng Guo, Fuji Zhang:
k-Resonant Benzenoid Systems and k-Cycle Resonant Graphs. J. Chem. Inf. Comput. Sci. 41(3): 480-483 (2001) - Mats G. Gustafsson:
A Probabilistic Derivation of the Partial Least-Squares Algorithm. J. Chem. Inf. Comput. Sci. 41(2): 288-294 (2001) - Ivan Gutman
, Christoph Rücker
, Gerta Rücker
:
On Walks in Molecular Graphs. J. Chem. Inf. Comput. Sci. 41(3): 739-745 (2001) - Ivan Gutman
, Dusica Vidovic:
Quest for Molecular Graphs with Maximal Energy: A Computer Experiment. J. Chem. Inf. Comput. Sci. 41(4): 1002-1005 (2001) - Michael M. Hann, Andrew R. Leach
, Gavin Harper:
Molecular Complexity and Its Impact on the Probability of Finding Leads for Drug Discovery. J. Chem. Inf. Comput. Sci. 41(3): 856-864 (2001) - Supa Hannongbua
, Kanda Nivesanond, Luckhana Lawtrakul
, Pornpan Pungpo
, Peter Wolschann:
3D-Quantitative Structure-Activity Relationships of HEPT Derivatives as HIV-1 Reverse Transcriptase Inhibitors, Based on Ab Initio Calculations. J. Chem. Inf. Comput. Sci. 41(3): 848-855 (2001) - Gavin Harper, John Bradshaw, John C. Gittins, Darren V. S. Green, Andrew R. Leach
:
Prediction of Biological Activity for High-Throughput Screening Using Binary Kernel Discrimination. J. Chem. Inf. Comput. Sci. 41(5): 1295-1300 (2001) - Douglas M. Hawkins, Subhash C. Basak, Xiaofang Shi:
QSAR with Few Compounds and Many Features. J. Chem. Inf. Comput. Sci. 41(3): 663-670 (2001) - Min He, Xinjian Yan, Jiaju Zhou, Guirong Xie:
Traditional Chinese Medicine Database and Application on the Web. J. Chem. Inf. Comput. Sci. 41(2): 273-277 (2001) - Ray A. Hefferlin, Myla Thomas Matus:
Molecular Similarity for Small Species: Refining the Isoelectronic Index. J. Chem. Inf. Comput. Sci. 41(3): 484-494 (2001) - César Hervás, Rocío Toledo, Manuel Silva:
Use of Pruned Computational Neural Networks for Processing the Response of Oscillating Chemical Reactions with a View to Analyzing Nonlinear Multicomponent Mixtures. J. Chem. Inf. Comput. Sci. 41(4): 1083-1092 (2001) - Haruo Hosoya, Sayaka Iwata, Minako Murokoshi, Michiko Atsumi
:
Graph-Theoretical Analysis of Tunneling Electron Transfer in Large Polycyclic Aromatic Hydrocarbon Networks. J. Chem. Inf. Comput. Sci. 41(3): 512-516 (2001) - Jarmo Huuskonen:
QSAR Modeling with the Electrotopological State: TIBO Derivatives. J. Chem. Inf. Comput. Sci. 41(2): 425-429 (2001) - Frederick Ignatz-Hoover, Ruslan Petrukhin, Mati Karelson, Alan R. Katritzky:
QSRR Correlation of Free-Radical Polymerization Chain-Transfer Constants for Styrene. J. Chem. Inf. Comput. Sci. 41(2): 295-299 (2001) - Ovidiu Ivanciuc, Teodora Ivanciuc, Douglas J. Klein, William A. Seitz, Alexandru T. Balaban:
Wiener Index Extension by Counting Even/Odd Graph Distances. J. Chem. Inf. Comput. Sci. 41(3): 536-549 (2001) - Sergei Izrailev, Dimitris K. Agrafiotis
:
A Novel Method for Building Regression Tree Models for QSAR Based on Artificial Ant Colony Systems. J. Chem. Inf. Comput. Sci. 41(1): 176-180 (2001) - Anne Marie Munk Jrgensen, Jan T. Pedersen:
Structural Diversity of Small Molecule Libraries. J. Chem. Inf. Comput. Sci. 41(2): 338-345 (2001) - Alan R. Katritzky, Ruslan Petrukhin, Ritu Jain, Mati Karelson:
QSPR Analysis of Flash Points. J. Chem. Inf. Comput. Sci. 41(6): 1521-1530 (2001) - Alan R. Katritzky, Subbu Perumal, Ruslan Petrukhin, Erich Kleinpeter:
CODESSA-Based Theoretical QSPR Model for Hydantoin HPLC-RT Lipophilicities. J. Chem. Inf. Comput. Sci. 41(3): 569-574 (2001) - Alan R. Katritzky, Ruslan Petrukhin, Douglas B. Tatham, Subhash C. Basak, Emilio Benfenati, Mati Karelson, Uko Maran
:
Interpretation of Quantitative Structure-Property and -Activity Relationships. J. Chem. Inf. Comput. Sci. 41(3): 679-685 (2001) - Alan R. Katritzky, Douglas B. Tatham, Uko Maran
:
Correlation of the Solubilities of Gases and Vapors in Methanol and Ethanol with Their Molecular Structures. J. Chem. Inf. Comput. Sci. 41(2): 358-363 (2001)