Computers & Chemistry, Volume 26
Volume 26, Number 1, 2002
- Robert Burbidge, Matthew W. B. Trotter, Bernard F. Buxton, Sean B. Holden: Drug Design by Machine Learning: Support Vector Machines for Pharmaceutical Data Analysis. 5-14
- Thomas Dandekar, Fuli Du, R. Heiner Schirmer, Steffen Schmidt: Medical Target Prediction From Genome Sequence: Combining Different Sequence Analysis Algorithms with Expert Knowledge and Input From Artificial Intelligence Approaches. 15-21
- David Gilbert, David R. Westhead, Juris Viksna, Janet M. Thornton: A Computer System to Perform Structure Comparison using Representations of Protein Structure. 23-30
- Richard M. Jackson, Robert B. Russell: Predicting Function From Structure: Examples of the Serine Protease Inhibitor Canonical Loop Conformation Found in Extracellular Proteins. 31-39
- Steffen Möller, Michael Schroeder, Rolf Apweiler: Consistent Integration of Non-reliable Heterogeneous Information Resources Applied to the Annotation of Transmembrane Proteins. 41-49
- Martin G. Reese: Application of a Time-delay Neural Network to Promoter Annotation in the Drosophila Melanogaster Genome. 51-56
- Marcel Turcotte, Stephen Muggleton, Michael J. E. Sternberg: Generating Protein Three-dimensional Fold Signatures using Inductive Logic Programming. 57-64
- Henrik G. Bohr, Pat Røgen, Karl James Jalkanen: Applications of Neural Network Prediction of Conformational States for Small Peptides From Spectra and of Fold Classes. 65-77
- Steven J. Pickering, Andrew J. Bulpitt, Nick Efford, Nicola D. Gold, David R. Westhead: AI-based Algorithms for Protein Surface Comparisons. 79-84
- Martin T. Swain, Graham J. L. Kemp: Modelling Protein Side-chain Conformations using Constraint Logic Programming. 85-95
Volume 26, Number 2, 2002
- Dieter Britz, Ole Østerby, Jörg Strutwolf, Tom Koch Svennesen: High-order Spatial Discretisations in Electrochemical Digital Simulation. Part 3. Combination with the Explicit Runge-Kutta Algorithm. 97-103
- A. Konguetsof, Tom E. Simos: P-stable Eighth Algebraic Order Methods for the Numerical Solution of the Schrödinger Equation. 105-111
- Tran Trung Tran, Darryn E. Bryant, Mark L. Smythe: A Subset-orientated Algorithm for Minimizing the Number of Steps Required for Synthesis of Cyclic-peptide Libraries. 113-117
- Piotr Kowalczyk, Artur P. Terzyk, Piotr A. Gauden, Lech Solarz: Numerical Analysis of Horvath-Kawazoe Equation. 125-130
- Juan A. Poce-Fatou, René Bañares-Alcántara, Joaquín Martín: Theoretical Study of the Morphologically Originated Noise Associated with the Transmittance of a Precipitation System. 131-140
- Weixiang Zhao, Dezhao Chen, Shangxu Hu: Differential Fraction-based Kinetic Model for Simulating Hydrodesulfurization Process of Petroleum Fraction. 141-148
- Czeslaw Rudowicz, Qin Jian: The Extended Version of the Computer Package CST for Conversions, Standardization and Transformations of the Spin Hamiltonian and the Crystal-field Hamiltonian. 149-157
- Xiaojun Yao, Xiaoyun Zhang, Ruisheng Zhang, Mancang Liu, Zhide Hu, Bo Tao Fan: Radial Basis Function Neural Network Based QSPR for the Prediction of Critical Pressures of Substituted Benzenes. 159-169
- P. C. Chen, S. C. Chen: Theoretical Study of the Internal Rotational Barriers in Nitrotoluenes, Nitrophenols, and Nitroanilines. 171-178
- Yu-Dong Cai, Xiao-Jun Liu, Kuo-Chen Chou: Artificial Neural Network Model for Predicting Protein Subcellular Location. 179-182
- Xie Hong-Ping, Jiang Jian-Hui, Shen Guo-Li, Yu Ru-Qin: Estimation of the Chemical Rank for the Three-way Data: A Principal Norm Vector Orthogonal Projection Approach. 183-190
Volume 26, Number 3, 2002
- Chun-Ting Zhang, Ju Wang, Ren Zhang: Using a Euclid Distance Discriminant Method to Find Protein Coding Genes in the Yeast Genome. 195-206
- K. Senthilkumar, P. Kolandaivel: Post Hartree-Fock and Density Functional Theory Studies on Structure and Conformational Stability of Nitrosoethylene and Substituted Compounds of Nitrosoethylene. 207-221
- Biye Ren: Novel Atom-type AI Indices for QSPR Studies of Alcohols. 223-235
- Rein Hiob, Mati Karelson: QSPR Models Derived for the Kinetic Data of the Gas-phase Homolysis of the Carbon-methyl Bond. 237-243
- Qianfeng Li, Lijun Dong, Runping Jia, Xingguo Chen, Zhide Hu, Bo Tao Fan: Development of a Quantitative Structure-property Relationship Model for Predicting the Electrophoretic Mobilities. 245-251
- E. Cortazar, A. Usobiaga, Luis A. Fernández, A. De Diego, Juan M. Madariaga: Automation of a Procedure to Find the Polynomial Which Best Fits (k, c1, c2, T) Data of Electrolyte Solutions by Non-linear Regression Analysis using Mathematica® Software. 253-264
- L. T. Fan, Botond Bertók, Ferenc Friedler: A Graph-theoretic Method to Identify Candidate Mechanisms for Deriving the Rate Law of a Catalytic Reaction. 265-292
- Yu-Dong Cai, Xiao-Jun Liu, Xue-biao Xu, Kuo-Chen Chou: Prediction of Protein Structural Classes by Support Vector Machines. 293-296
Volume 26, Number 4, 2002
- Przemyslaw Sanecki, Piotr Skital: The Cyclic Voltammetry Simulation of a Competition Between Stepwise and Concerted Dissociative Electron Transfer, the Modeling of Alpha Apparent Variability, the Relationship Between Apparent and Elementary Kinetic Parameters. 297-311
- Timothy B. Terriberry, David F. Cox, Doug A. Bowman: A Tool for the Interactive 3D Visualization of Electronic Structure in Molecules and Solids. 313-319
- Werner Baumgartner, Detlev Drenckhahn: An Expectation-maximisation Algorithm for the Deconvolution of the Intrinsic Distribution of Single Molecule's Parameters. 321-326
- Pablo Duchowicz, Eduardo A. Castro, Andrey A. Toropov: Improved QSPR Analysis of Standard Entropy of Acyclic and Aromatic Compounds using Optimized Correlation Weights of Linear Graph Invariants. 327-332
- Przemyslaw Sanecki, Piotr Skital: A Comparison of the Multistep Consecutive Reduction Mode with the Multicomponent System Reduction Mode in Cyclic Voltammetry. 333-340
- Katrin Sak, Jaak Järv, Mati Karelson: `Strain Effect' Descriptors for ATP and ADP Derivatives with Modified Phosphate Groups. 341-346
- Yu-Dong Cai, Xiao-Jun Liu, Xue-biao Xu, Kuo-Chen Chou: Artificial Neural Network Method for Predicting Protein Secondary Structure Content. 347-350
- Krystian Kubica: Computer Simulation Studies on Significance of Lipid Polar Head Orientation. 351-356
- Biye Ren: Application of Novel Atom-type AI Topological Indices to QSPR Studies of Alkanes. 357-369
- Leon D. Betowski, Mark Enlow, Lee Riddick: The Phototoxicity of Polycyclic Aromatic Hydrocarbons: A Theoretical Study of Excited States and Correlation to Experiment. 371-377
- Irina B. Svir, Oleksiy V. Klymenko, Matt S. Platz: 'Kinfitsim' - A Software to Fit Kinetic Data to a User Selected Mechanism. 379-386
- F. E. Jorge, C. L. Barros: Universal Basis Sets for Low-lying Excited States of Some Positive and Negative Ions. 387-391
- M. James C. Crabbe: Bioinformatics - From Genomes to Drugs: 2 Volume Set; Thomas Lengauer (Ed.), 680 pages. 393
Volume 26, Number 5, 2002
- Andrzej K. Konopka: Grand Metaphors of Biology in the Genome Era. 397-401
- Gisèle Bronner, Bruno Spataro, Michel Page, Christian Gautier, François Rechenmann: Modeling Comparative Mapping using Objects and Associations. 413-420
- Jean-Paul Comet, Jacques Henry: Pairwise Sequence Alignment using a PROSITE Pattern-derived Similarity Score. 421-436
- Alexandre G. de Brevern, France Loirat, Anne Badel-Chagnon, Cécile André, Pierre Vincens, Serge A. Hazout: Genome Compartimentation by a Hybrid Chromosome Model (HM). Application to Saccharomyces Cerevisae Subtelomeres. 437-445
- Yves Quentin, Julie Chabalier, Gwennaele Fichant: Strategies for the Identification, the Assembly and the Classification of Integrated Biological Systems in Completely Sequenced Genomes. 447-457
- Jaap Heringa: Local Weighting Schemes for Protein Multiple Sequence Alignment. 459-477
- Alessandra Larizza, Wojciech Makalowski, Graziano Pesole, Cecilia Saccone: Evolutionary Dynamics of Mammalian MRNA Untranslated Regions by Comparative Analysis of Orthologous Human, Artiodactyl and Rodent Gene Pairs. 479-490
- Wentian Li, Pedro Bernaola-Galván, Fatameh Haghighi, Ivo Grosse: Applications of Recursive Segmentation to the Analysis of DNA Sequences. 491-510
- A. Louis, Hélène Chiapello, Cécilia Fabry, Emmanuelle Ollivier, Alain Hénaut: Deciphering Arabidopsis Thaliana Gene Neighborhoods Through Bibliographic Co-citations. 511-519
- Fariza Tahi, Manolo Gouy, Mireille Régnier: Automatic RNA Secondary Structure Prediction with a Comparative Approach. 521-530
- David Ussery, Dikeos Mario Soumpasis, Søren Brunak, Hans Henrik Stærfeldt, Peder Worning, Anders Krogh: Bias of Purine Stretches in Sequenced Chromosomes. 531-541
- Andrzej K. Konopka: This Is Biology: The Science of the Living World: Ernst Mayr, Harvard University Press, Cambridge, MA, Publication Date, July 1998. ISBN: 0674884698, Paperback, 1st Ed., 352Pp. 543-545
- Andrzej K. Konopka: Mathematics of Genome Analysis: Jerome K. Percus, Cambridge University Press, Cambridge, 2002. Paperback, ISBN 0-521-58526-0, 139Pp. 547-548
- Jean-Loup Risler: Bioinformatics: A Practical Guide to the Analysis of Genes and Proteins: Edited by A.D. Baxevanis, B.F.F. Ouellette, Second Ed., Wiley Interscience, New York, 2001. ISBN 0-471-38391-0, 470Pages. 549-551
- Jean-Loup Risler: Developing Bioinformatics Computer Skills: C. Gibas, P. Jambeck, O'Reilly, 2001. ISBN 1-56592-664-1, 427Pages. 553-555
Volume 26, Number 6, 2002
- Joachim Petit, Jure Zupan, Laurence Leherte, Daniel P. Vercauteren: Application of a Kohonen Neural Network to the Analysis of Data Regarding the Alkylation of Toluene with Methanol Catalyzed by ZSM-5Type Zeolites. 557-572
- Byungwhan Kim, Jang Hyun Park, Beom-Soo Kim: Fuzzy Logic Model of Langmuir Probe Discharge Data. 573-581
- Kiyoshi Hasegawa, Shigeo Matsuoka, Masamoto Arakawa, Kimito Funatsu: New Molecular Surface-based 3D-QSAR Method using Kohonen Neural Network and 3-way PLS. 583-589
- Hong-Ping Xie, Jian-Hui Jiang, Hui Cui, Guo-Li Shen, Ru-Qin Yu: A New Redundant Variable Pruning Approach - minor Latent Variable Perturbation-PLS Used for QSAR Studies on Anti-HIV Drugs. 591-600
- Marcelo J. P. Ferreira, Francimeiry C. Oliveira, Sandra A. V. Alvarenga, Patrícia A. T. Macari, Gilberto V. Rodrigues, Vicente de Paulo Emerenciano: Automatic Identification by 13C NMR of Substituent Groups Bonded in Natural Product Skeletons. 601-632
- Leslaw K. Bieniasz: Use of the Numerov Method to Improve the Accuracy of the Spatial Discretisation in Finite-difference Electrochemical Kinetic Simulations. 633-644
- Gennadi M. Ostrovsky, Luke E. K. Achenie, Manish Sinha: On the Solution of Mixed-integer Nonlinear Programming Models for Computer Aided Molecular Design. 645-660
- X. Chen, Zhi Liang Ji, D. G. Zhi, Yu Zong Chen: CLiBE: A Database of Computed Ligand Binding Energy for Ligand-receptor Complexes. 661-666
- Constanza Cárdenas, Mateo Obregón, Eugenio-José Llanos, Eduardo Machado, Hugo-Javier Bohórquez, José-Luis Villaveces, Manuel-Elkin Patarroyo: Constructing a Useful Tool for Characterizing Amino Acid Conformers by Means of Quantum Chemical and Graph Theory Indices. 667-682
data released under the ODC-BY 1.0 license. See also our legal information page
last updated on 2013-06-19T201401 by the dblp team