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Journals in DBLP

Journal of Chemical Information and Modeling
2004, volume: 44, number: 1

  1. Douglas M. Hawkins
    The Problem of Overfitting. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:1, pp:1-12 [Journal]
  2. Cheng-de Lin, Peng Tang
    Kekulé Count in Capped Zigzag Boron-Nitride Nanotubes. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:1, pp:13-20 [Journal]
  3. Jeffrey W. Godden, John R. Furr, Ling Xue, Florence L. Stahura, Jürgen Bajorath
    Molecular Similarity Analysis and Virtual Screening by Mapping of Consensus Positions in Binary-Transformed Chemical Descriptor Spaces with Variable Dimensionality. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:1, pp:21-29 [Journal]
  4. Gonzalo Cerruela García, Irene Luque Ruiz, Miguel Ángel Gómez-Nieto
    Step-by-Step Calculation of All Maximum Common Substructures through a Constraint Satisfaction Based Algorithm. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:1, pp:30-41 [Journal]
  5. Lionello Pogliani
    Encoding the Core Electrons with Graph Concepts. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:1, pp:42-49 [Journal]
  6. Alexandru T. Balaban, Milan Randic
    Partitioning of pi-Electrons in Rings of Polycyclic Benzenoid Hydrocarbons. 2. Catacondensed Coronoids. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:1, pp:50-59 [Journal]
  7. Francisco Torrens
    Table of Periodic Properties of Fullerenes Based on Structural Parameters. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:1, pp:60-67 [Journal]
  8. Guillermo Restrepo, Héber Mesa, Eugenio-José Llanos, José-Luis Villaveces
    Topological Study of the Periodic System. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:1, pp:68-75 [Journal]
  9. Thy-Hou Lin, Huang-Te Li, Keng-Chang Tsai
    Implementing the Fisher's Discriminant Ratio in a k-Means Clustering Algorithm for Feature Selection and Data Set Trimming. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:1, pp:76-87 [Journal]
  10. Sukjoon Yoon, William J. Welsh
    Identification of a Minimal Subset of Receptor Conformations for Improved Multiple Conformation Docking and Two-Step Scoring. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:1, pp:88-96 [Journal]
  11. Julius Sipilä, Jyrki Taskinen
    CoMFA Modeling of Human Catechol O-Methyltransferase Enzyme Kinetics. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:1, pp:97-104 [Journal]
  12. Paolo Mazzatorta, Emilio Benfenati, Paola Lorenzini, Marco Vighi
    QSAR in Ecotoxicity: An Overview of Modern Classification Techniques. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:1, pp:105-112 [Journal]
  13. Teuta Pilizota, Bono Lucic, Nenad Trinajstic
    Use of Variable Selection in Modeling the Secondary Structural Content of Proteins from Their Composition of Amino Acid Residues. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:1, pp:113-121 [Journal]
  14. Frederik E. Leys, Claudio Amovilli, Norman H. March
    Topology, Connectivity, and Electronic Structure of C and B Cages and the Corresponding Nanotubes. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:1, pp:122-135 [Journal]
  15. Alan R. Katritzky, Kaido Tämm, Minati Kuanar, Dan C. Fara, Alexander A. Oliferenko, Polina V. Oliferenko, Jonathan G. Huddleston, Robin D. Rogers
    Aqueous Biphasic Systems. Partitioning of Organic Molecules: A QSPR Treatment. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:1, pp:136-142 [Journal]
  16. James N. Cawse, Manfred Baerns, Martin Holena
    Efficient Discovery of Nonlinear Dependencies in a Combinatorial Catalyst Data Set. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:1, pp:143-146 [Journal]
  17. Ting-Lan Chiu, Sung-Sau So
    Development of Neural Network QSPR Models for Hansch Substituent Constants. 1. Method and Validations. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:1, pp:147-153 [Journal]
  18. Ting-Lan Chiu, Sung-Sau So
    Development of Neural Network QSPR Models for Hansch Substituent Constants. 2. Applications in QSAR Studies of HIV-1 Reverse Transcriptase and Dihydrofolate Reductase Inhibitors. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:1, pp:154-160 [Journal]
  19. H. X. Liu, R. S. Zhang, X. J. Yao, M. C. Liu, Z. D. Hu, B. T. Fan
    Prediction of the Isoelectric Point of an Amino Acid Based on GA-PLS and SVMs. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:1, pp:161-167 [Journal]
  20. Daniel Faller, Thomas Reinheckel, Daniel Wenzler, Sascha Hagemann, Ke Xiao, Josef Honerkamp, Christoph Peters, Thomas Dandekar, Jens Timmer
    An Open Source Protein Gel Documentation System for Proteome Analyses. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:1, pp:168-169 [Journal]
  21. Andreas Bender, Hamse Y. Mussa, Robert C. Glen, Stephan Reiling
    Molecular Similarity Searching Using Atom Environments, Information-Based Feature Selection, and a Naïve Bayesian Classifier. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:1, pp:170-178 [Journal]
  22. Andrey A. Toropov, Kunal Roy
    QSPR Modeling of Lipid-Water Partition Coefficient by Optimization of Correlation Weights of Local Graph Invariants. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:1, pp:179-186 [Journal]
  23. Tomas Öberg
    Boiling Points of Halogenated Aliphatic Compounds: A Quantitative Structure-Property Relationship for Prediction and Validation. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:1, pp:187-192 [Journal]
  24. Xueguang Shao, Haiyan Jiang, Wensheng Cai
    Parallel Random Tunneling Algorithm for Structural Optimization of Lennard-Jones Clusters up to N = 330. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:1, pp:193-199 [Journal]
  25. Christian Th. Klein, Dominik Kaiser, Gerhard F. Ecker
    Topological Distance Based 3D Descriptors for Use in QSAR and Diversity Analysis. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:1, pp:200-209 [Journal]
  26. Prasanna A. Datar, Prashant V. Desai, Evans C. Coutinho
    A 3D-QSAR of Angiotensin II (AT1) Receptor Antagonists Based on Receptor Surface Analysis. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:1, pp:210-220 [Journal]
  27. David T. Stanton, Prakash J. Madhav, Larry J. Wilson, Timothy W. Morris, Paul M. Hershberger, Christian N. Parker
    Development of a Quantitative Structure-Activity Relationship Model for Inhibition of Gram-positive Bacterial Cell Growth by Biarylamides. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:1, pp:221-229 [Journal]
  28. Chenzhong Liao, Aihua Xie, Leming Shi, Jiaju Zhou, Xianping Lu
    Eigenvalue Analysis of Peroxisome Proliferator-Activated Receptor gamma Agonists. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:1, pp:230-238 [Journal]
  29. Marc Adenot, Roger Lahana
    Blood-Brain Barrier Permeation Models: Discriminating between Potential CNS and Non-CNS Drugs Including P-Glycoprotein Substrates. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:1, pp:239-248 [Journal]
  30. Xueliang Fang, Lei Shao, Hui Zhang, Shaomeng Wang
    Web-Based Tools for Mining the NCI Databases for Anticancer Drug Discovery. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:1, pp:249-257 [Journal]
  31. Tatiana I. Netzeva, John C. Dearden, Robert Edwards, Andrew D. P. Worgan, Mark T. D. Cronin
    QSAR Analysis of the Toxicity of Aromatic Compounds to Chlorella vulgaris in a Novel Short-Term Assay. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:1, pp:258-265 [Journal]
  32. Tingjun Hou, Ke Xia, Wei Zhang, Xiaojie Xu
    ADME Evaluation in Drug Discovery. 4. Prediction of Aqueous Solubility Based on Atom Contribution Approach. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:1, pp:266-275 [Journal]
  33. Nicolas Baurin, Jean-Christophe Mozziconacci, Eric Arnoult, Philippe Chavatte, Christophe Marot, Luc Morin-Allory
    2D QSAR Consensus Prediction for High-Throughput Virtual Screening. An Application to COX-2 Inhibition Modeling and Screening of the NCI Database. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:1, pp:276-285 [Journal]
  34. Marvin Carmack
    Chirality of the Disulfide in the Prion Proteins. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:1, pp:286-288 [Journal]
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