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Journals in DBLP

Journal of Chemical Information and Modeling
2004, volume: 44, number: 5

  1. A. M. Livshits, Yu. E. Lozovik
    Cut-and-Unfold Approach to Fullerene Enumeration. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:5, pp:1517-1520 [Journal]
  2. Douglas J. Klein, José Luis Palacios, Milan Randic, Nenad Trinajstic
    Random Walks and Chemical Graph Theory. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:5, pp:1521-1525 [Journal]
  3. Craig L. Senese, José S. Duca, Dahua Pan, Anton J. Hopfinger, Yufeng Tseng
    4D-Fingerprints, Universal QSAR and QSPR Descriptors. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:5, pp:1526-1539 [Journal]
  4. Kristin Tøndel
    Prediction of Homology Model Quality with Multivariate Regression. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:5, pp:1540-1551 [Journal]
  5. Erwin Lijnen, Arnout Ceulemans
    Oriented 2-Cell Embeddings of a Graph and Their Symmetry Classification: Generating Algorithms and Case Study of the Möbius-Kantor Graph. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:5, pp:1552-1564 [Journal]
  6. István Lukovits
    Resonance Energy in Graphite. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:5, pp:1565-1570 [Journal]
  7. Wei Zhang, Tingjun Hou, Xuebin Qiao, Xiaojie Xu
    Some Basic Data Structures and Algorithms for Chemical Generic Programming. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:5, pp:1571-1575 [Journal]
  8. César Hervás-Martínez, Manuel Silva, Juan Manuel Serrano, Eva Orejuela
    Heuristic Extraction of Rules in Pruned Artificial Neural Networks Models Used for Quantifying Highly Overlapping Chromatographic Peaks. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:5, pp:1576-1584 [Journal]
  9. Tingjun Hou, Wei Zhang, Ke Xia, Xuebin Qiao, Xiaojie Xu
    ADME Evaluation in Drug Discovery. 5. Correlation of Caco-2 Permeation with Simple Molecular Properties. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:5, pp:1585-1600 [Journal]
  10. Daniel J. Graham, Christopher Malarkey, Matthew V. Schulmerich
    Information Content in Organic Molecules: Quantification and Statistical Structure via Brownian Processing. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:5, pp:1601-1611 [Journal]
  11. Daniel J. Graham, Matthew V. Schulmerich
    Information Content in Organic Molecules: Reaction Pathway Analysis via Brownian Processing. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:5, pp:1612-1622 [Journal]
  12. Raghuraman Venkatapathy, Chandrika J. Moudgal, Robert M. Bruce
    Assessment of the Oral Rat Chronic Lowest Observed Adverse Effect Level Model in TOPKAT, a QSAR Software Package for Toxicity Prediction. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:5, pp:1623-1629 [Journal]
  13. Ying Xue, Z. R. Li, Chun Wei Yap, Li Zhi Sun, Xin Chen, Yu Zong Chen
    Effect of Molecular Descriptor Feature Selection in Support Vector Machine Classification of Pharmacokinetic and Toxicological Properties of Chemical Agents. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:5, pp:1630-1638 [Journal]
  14. Santiago Melchor, José A. Dobado Jimez
    CoNTub: An Algorithm for Connecting Two Arbitrary Carbon Nanotubes. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:5, pp:1639-1646 [Journal]
  15. Peter Tiño, Ian T. Nabney, Bruce S. Williams, Jens Lösel, Yi Sun
    Nonlinear Prediction of Quantitative Structure-Activity Relationships. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:5, pp:1647-1653 [Journal]
  16. Christoph Rücker, Ralf Gugisch, Adalbert Kerber
    Manual Construction and Mathematics- and Computer-Aided Counting of Stereoisomers. The Example of Oligoinositols. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:5, pp:1654-1665 [Journal]
  17. Bo Liao, Tian-Ming Wang
    Analysis of Similarity/Dissimilarity of DNA Sequences Based on Nonoverlapping Triplets of Nucleotide Bases. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:5, pp:1666-1670 [Journal]
  18. Oliver Trapp
    Evaluation and Prediction of Stereoisomerizations in Comprehensive Two-Dimensional Chromatography. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:5, pp:1671-1679 [Journal]
  19. Armando Navarro-Vázquez, Juan Carlos Cobas, Francisco Javier Sardina, Jorge Casanueva, Ernesto Díez
    A Graphical Tool for the Prediction of Vicinal Proton-Proton 3JHH Coupling Constants. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:5, pp:1680-1685 [Journal]
  20. Vishwesh Venkatraman, Andrew R. Dalby, Zheng Rong Yang
    Evaluation of Mutual Information and Genetic Programming for Feature Selection in QSAR. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:5, pp:1686-1692 [Journal]
  21. C. X. Xue, Ruisheng Zhang, H. X. Liu, Xiaojun Yao, Mancang Liu, Zhide Hu, Bo Tao Fan
    QSAR Models for the Prediction of Binding Affinities to Human Serum Albumin Using the Heuristic Method and a Support Vector Machine. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:5, pp:1693-1700 [Journal]
  22. Alexandru T. Balaban, Milan Randic
    Partitioning of pi-Electrons in Rings of Polycyclic Conjugated Hydrocarbons. 5. Nonalternant Compounds. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:5, pp:1701-1707 [Journal]
  23. Andreas Bender, Hamse Y. Mussa, Robert C. Glen, Stephan Reiling
    Similarity Searching of Chemical Databases Using Atom Environment Descriptors (MOLPRINT 2D): Evaluation of Performance. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:5, pp:1708-1718 [Journal]
  24. Shinsaku Fujita
    Group-Theoretical Discussion on the E/Z-Nomenclature for Ethylene Derivatives. Discrimination between RS-Stereoisomeric Groups and Stereoisomeric Groups. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:5, pp:1719-1726 [Journal]
  25. Jesús Jover, Ramón Bosque, Joaquim Sales
    Determination of Lithium Cation Basicity from Molecular Structure. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:5, pp:1727-1736 [Journal]
  26. Sergey G. Molodtsov, Mikhail E. Elyashberg, Kirill A. Blinov, Antony J. Williams, Eduard R. Martirosian, Gary E. Martin, Brent Lefebvre
    Structure Elucidation from 2D NMR Spectra Using the StrucEluc Expert System: Detection and Removal of Contradictions in the Data. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:5, pp:1737-1751 [Journal]
  27. Guangyu Sun, Johannes H. Voigt, Igor V. Filippov, Victor E. Marquez, Marc C. Nicklaus
    PROSIT: Pseudo-Rotational Online Service and Interactive Tool, Applied to a Conformational Survey of Nucleosides and Nucleotides. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:5, pp:1752-1762 [Journal]
  28. Mulaisho Mwense, Xue Zhong Wang, Frances V. Buontempo, Nigel Horan, Anita Young, Daniel Osborn
    Prediction of Noninteractive Mixture Toxicity of Organic Compounds Based on a Fuzzy Set Method. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:5, pp:1763-1773 [Journal]
  29. Chong Hak Chae, Sung-Eun Yoo, Whanchul Shin
    Novel Receptor Surface Approach for 3D-QSAR: The Weighted Probe Interaction Energy Method. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:5, pp:1774-1787 [Journal]
  30. Christian Neiss, Peter Saalfrank
    Molecular Dynamics Simulation of the LOV2 Domain from Adiantum capillus-veneris. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:5, pp:1788-1793 [Journal]
  31. Paola Gramatica, Pamela Pilutti, Ester Papa
    Validated QSAR Prediction of OH Tropospheric Degradation of VOCs: Splitting into Training-Test Sets and Consensus Modeling. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:5, pp:1794-1802 [Journal]
  32. Felix Deanda, Eugene L. Stewart
    Application of the PharmPrint Methodology to Two Protein Kinases. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:5, pp:1803-1809 [Journal]
  33. Brett A. Tounge, Charles H. Reynolds
    Defining Privileged Reagents Using Subsimilarity Comparison. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:5, pp:1810-1815 [Journal]
  34. Martin Thimm, Andrean Goede, Stefan Hougardy, Robert Preissner
    Comparison of 2D Similarity and 3D Superposition. Application to Searching a Conformational Drug Database. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:5, pp:1816-1822 [Journal]
  35. Ying Liu
    A Comparative Study on Feature Selection Methods for Drug Discovery. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:5, pp:1823-1828 [Journal]
  36. Antonio Macchiarulo, Gabriele Costantino, Mirco Meniconi, Karin Pleban, Gerhard Ecker, Daniele Bellocchi, Roberto Pellicciari
    Insights into Phenylalanine Derivatives Recognition of VLA-4 Integrin: From a Pharmacophoric Study to 3D-QSAR and Molecular Docking Analyses. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:5, pp:1829-1839 [Journal]
  37. Martin Whittle, Valerie J. Gillet, Peter Willett, Alexander Alex, Jens Loesel
    Enhancing the Effectiveness of Virtual Screening by Fusing Nearest Neighbor Lists: A Comparison of Similarity Coefficients. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:5, pp:1840-1848 [Journal]
  38. Theodora M. Steindl, Thierry Langer
    Influenza Virus Neuraminidase Inhibitors: Generation and Comparison of Structure-Based and Common Feature Pharmacophore Hypotheses and Their Application in Virtual Screening. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:5, pp:1849-1856 [Journal]
  39. Keng-Chang Tsai, Thy-Hou Lin
    A Ligand-Based Molecular Modeling Study on Some Matrix Metalloproteinase-1 Inhibitors Using Several 3D QSAR Techniques. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:5, pp:1857-1871 [Journal]
  40. Gregor Mlinsek, Marjana Novic, Miha Kotnik, Tomaz Solmajer
    Enzyme Binding Selectivity Prediction: alpha-Thrombin vs Trypsin Inhibition. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:5, pp:1872-1882 [Journal]
  41. William G. Town
    The Merck Index 13.2 CD-ROM Edition from CambridgeSoft. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:5, pp:1883-1885 [Journal]
  42. Zhenjiang Li, Honggui Wan, Yuhu Shi, Pingkai Ouyang
    Personal Experience with Four Kinds of Chemical Structure Drawing Software: Review on ChemDraw, ChemWindow, ISIS/Draw, and ChemSketch. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:5, pp:1886-1890 [Journal]
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