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Journals in DBLP

Journal of Chemical Information and Modeling
2004, volume: 44, number: 6

  1. Tetsuo Morikawa, Susumu Narita, Douglas J. Klein
    Molecules-in-Molecule Estimation of the Extent of Localization of Kekuléan Substructures in Polycyclic Aromatic Hydrocarbons. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:6, pp:1891-1896 [Journal]
  2. Giuseppina C. Gini, Marian Viorel Craciun, Christoph König, Emilio Benfenati
    Combining Unsupervised and Supervised Artificial Neural Networks to PredictAquatic Toxicity. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:6, pp:1897-1902 [Journal]
  3. Irene Luque Ruiz, Gonzalo Cerruela García, Miguel Ángel Gómez-Nieto
    Representation of the Molecular Topology of Cyclical Structures by Means of Cycle Graphs. 3. Hierarchical Model of Screening of Chemical Databases. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:6, pp:1903-1911 [Journal]
  4. Robert P. Sheridan, Bradley P. Feuston, Vladimir N. Maiorov, Simon K. Kearsley
    Similarity to Molecules in the Training Set Is a Good Discriminator for Prediction Accuracy in QSAR. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:6, pp:1912-1928 [Journal]
  5. Andrew Smellie
    Accelerated K-Means Clustering in Metric Spaces. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:6, pp:1929-1935 [Journal]
  6. Ying Liu
    Active Learning with Support Vector Machine Applied to Gene Expression Data for Cancer Classification. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:6, pp:1936-1941 [Journal]
  7. Matthew D. Kelly, Ricardo L. Mancera
    Expanded Interaction Fingerprint Method for Analyzing Ligand Binding Modes in Docking and Structure-Based Drug Design. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:6, pp:1942-1951 [Journal]
  8. Yizong Cheng, Anping Liu, Yuping Guo, Xiaoyang Qi
    Computational Models for the Helix Tilt Angle. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:6, pp:1952-1960 [Journal]
  9. Miguel X. Fernandes, Visvaldas Kairys, Michael K. Gilson
    Comparing Ligand Interactions with Multiple Receptors via Serial Docking. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:6, pp:1961-1970 [Journal]
  10. Christian Merkwirth, Harald Mauser, Tanja Schulz-Gasch, Olivier Roche, Martin Stahl, Thomas Lengauer
    Ensemble Methods for Classification in Cheminformatics. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:6, pp:1971-1978 [Journal]
  11. H. X. Liu, C. X. Xue, Ruisheng Zhang, Xiaojun Yao, Mancang Liu, Zhide Hu, Bo Tao Fan
    Quantitative Prediction of logk of Peptides in High-Performance Liquid Chromatography Based on Molecular Descriptors by Using the Heuristic Method and Support Vector Machine. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:6, pp:1979-1986 [Journal]
  12. Scheila Furtado Braga, Douglas Soares Galvão
    Benzo[c]quinolizin-3-ones Theoretical Investigation: SAR Analysis and Application to Nontested Compounds. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:6, pp:1987-1997 [Journal]
  13. Yulia V. Borodina, A. Rudik, Dmitrii Filimonov, N. Kharchevnikova, A. Dmitriev, V. Blinova, Vladimir Poroikov
    A New Statistical Approach to Predicting Aromatic Hydroxylation Sites. Comparison with Model-Based Approaches. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:6, pp:1998-2009 [Journal]
  14. Yovani Marrero-Ponce
    Linear Indices of the "Molecular Pseudograph's Atom Adjacency Matrix": Definition, Significance-Interpretation, and Application to QSAR Analysis of Flavone Derivatives as HIV-1 Integrase Inhibitors. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:6, pp:2010-2026 [Journal]
  15. Qi Shen, Jian-Hui Jiang, Chen-Xu Jiao, Shuang-Yan Huan, Guo-Li Shen, Ru-Qin Yu
    Optimized Partition of Minimum Spanning Tree for Piecewise Modeling by Particle Swarm Algorithm. QSAR Studies of Antagonism of Angiotensin II Antagonists. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:6, pp:2027-2031 [Journal]
  16. Ling Xue, Florence L. Stahura, Jürgen Bajorath
    Similarity Search Profiling Reveals Effects of Fingerprint Scaling in Virtual Screening. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:6, pp:2032-2039 [Journal]
  17. C. Y. Zhao, Ruisheng Zhang, H. X. Liu, C. X. Xue, S. G. Zhao, X. F. Zhou, Mancang Liu, Bo Tao Fan
    Diagnosing Anorexia Based on Partial Least Squares, Back Propagation Neural Network, and Support Vector Machines. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:6, pp:2040-2046 [Journal]
  18. Guo-Zheng Li, Jie Yang, Hai-Feng Song, Shang-Sheng Yang, Wen-Cong Lu, Nian-yi Chen
    Semiempirical Quantum Chemical Method and Artificial Neural Networks Applied for lambdamax Computation of Some Azo Dyes. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:6, pp:2047-2050 [Journal]
  19. Kai Ludwig, Bernd Speiser
    EChem++-An Object-Oriented Problem Solving Environment for Electrochemistry. 2. The Kinetic Facilities of Ecco-A Compiler for (Electro-)Chemistry. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:6, pp:2051-2060 [Journal]
  20. Jane P. F. Bai, Andrey Utis, Gordon M. Crippen, Han-Dan He, Volker Fischer, Robert Tullman, He-Qun Yin, Cheng-Pang Hsu, Lan Jiang, Kin-Kai Hwang
    Use of Classification Regression Tree in Predicting Oral Absorption in Humans. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:6, pp:2061-2069 [Journal]
  21. Christoph Rücker, Markus Meringer, Adalbert Kerber
    QSPR Using MOLGEN-QSPR: The Example of Haloalkane Boiling Points. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:6, pp:2070-2076 [Journal]
  22. Tadeusz Marek Krygowski, Halina Szatylowicz, Joanna E. Zachara
    How H-Bonding Affects Aromaticity of the Ring in Variously Substituted Phenol Complexes with Bases. 4. Molecular Geometry as a Source of Chemical Information. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:6, pp:2077-2082 [Journal]
  23. Dahua Pan, Manisha Iyer, Jianzhong Liu, Yi Li, Anton J. Hopfinger
    Constructing Optimum Blood Brain Barrier QSAR Models Using a Combination of 4D-Molecular Similarity Measures and Cluster Analysis. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:6, pp:2083-2098 [Journal]
  24. Jian Wan, Li Zhang, Guangfu Yang, Chang-Guo Zhan
    Quantitative Structure-Activity Relationship for Cyclic Imide Derivatives of Protoporphyrinogen Oxidase Inhibitors: A Study of Quantum Chemical Descriptors from Density Functional Theory. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:6, pp:2099-2105 [Journal]
  25. Kai-Tai Fang, Hong Yin, Yi-Zeng Liang
    New Approach by Kriging Models to Problems in QSAR. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:6, pp:2106-2113 [Journal]
  26. Renxiao Wang, Yipin Lu, Xueliang Fang, Shaomeng Wang
    An Extensive Test of 14 Scoring Functions Using the PDBbind Refined Set of 800 Protein-Ligand Complexes. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:6, pp:2114-2125 [Journal]
  27. Petr Dobes, Jan Kmunícek, Vladimír Mikes, Jirí Damborský
    Binding of Fatty Acids to beta-Cryptogein: Quantitative Structure-Activity Relationships and Design of Selective Protein Mutants. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:6, pp:2126-2132 [Journal]
  28. Ian J. Bruno, Jason C. Cole, Magnus Kessler, Jie Luo, W. D. Sam Motherwell, Lucy H. Purkis, Barry R. Smith, Robin Taylor, Richard I. Cooper, Stephanie E. Harris, A. Guy Orpen
    Retrieval of Crystallographically-Derived Molecular Geometry Information. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:6, pp:2133-2144 [Journal]
  29. Gavin Harper, Gianpaolo Bravi, Stephen D. Pickett, Jameed Hussain, Darren V. S. Green
    The Reduced Graph Descriptor in Virtual Screening and Data-Driven Clustering of High-Throughput Screening Data. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:6, pp:2145-2156 [Journal]
  30. Nicolas Baurin, Fareed Aboul-Ela, Xavier Barril, Ben Davis, Martin Drysdale, Brian Dymock, Harry Finch, Christophe Fromont, Christine M. Richardson, Heather Simmonite, Roderick E. Hubbard
    Design and Characterization of Libraries of Molecular Fragments for Use in NMR Screening against Protein Targets. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:6, pp:2157-2166 [Journal]
  31. Zhigang Zhou, Jeffry D. Madura
    CoMFA 3D-QSAR Analysis of HIV-1 RT Nonnucleoside Inhibitors, TIBO Derivatives Based on Docking Conformation and Alignment. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:6, pp:2167-2178 [Journal]
  32. Rajarshi Guha, Peter C. Jurs
    Development of Linear, Ensemble, and Nonlinear Models for the Prediction and Interpretation of the Biological Activity of a Set of PDGFR Inhibitors. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:6, pp:2179-2189 [Journal]
  33. James R. Arnold, Keith W. Burdick, Scott C.-H. Pegg, Samuel Toba, Michelle L. Lamb, Irwin D. Kuntz
    SitePrint: Three-Dimensional Pharmacophore Descriptors Derived from Protein Binding Sites for Family Based Active Site Analysis, Classification, and Drug Design. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:6, pp:2190-2198 [Journal]
  34. Aziz Yasri, Didier Berthelot, Harry Gijsen, Theo Thielemans, Patrick Marichal, Michael Engels, Jan Hoflack
    REALISIS: A Medicinal Chemistry-Oriented Reagent Selection, Library Design, and Profiling Platform. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:6, pp:2199-2206 [Journal]
  35. Erik Nordling, Evert J. Homan
    Generalization of a Targeted Library Design Protocol: Application to 5-HT7 Receptor Ligands. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:6, pp:2207-2215 [Journal]
  36. Anthony E. Klon, Meir Glick, John W. Davies
    Application of Machine Learning To Improve the Results of High-Throughput Docking Against the HIV-1 Protease. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:6, pp:2216-2224 [Journal]
  37. Loren D. Mendelsohn
    ChemDraw 8 Ultra, Windows and Macintosh Versions. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:6, pp:2225-2226 [Journal]
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