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Journals in DBLP

Journal of Chemical Information and Computer Sciences
2001, volume: 41, number: 3

  1. Scott A. Wildman, Gordon M. Crippen
    Evaluation of Ligand Overlap by Atomic Parameters. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:446-450 [Journal]
  2. Eva Scholtzová, Ladislav Turi Nagy, Karol Putyera
    Modeling of Nontraditional Structures of Carbon. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:451-456 [Journal]
  3. Andrew J. Chalk, Bernd Beck, Timothy Clark
    A Quantum Mechanical/Neural Net Model for Boiling Points with Error Estimation. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:457-462 [Journal]
  4. Denise Yaffe, Yoram Cohen
    Neural Network Based Temperature-Dependent Quantitative Structure Property Relations (QSPRs) for Predicting Vapor Pressure of Hydrocarbons. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:463-477 [Journal]
  5. Subhash C. Basak, George W. A. Milne, Milan Randic, Dilip K. Sinha
    Second Indo-U.S. Workshop on Mathematical Chemistry May 30-June 3, 2000 Duluth, Minnesota. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:479-479 [Journal]
  6. Xiaofeng Guo, Fuji Zhang
    k-Resonant Benzenoid Systems and k-Cycle Resonant Graphs. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:480-483 [Journal]
  7. Ray A. Hefferlin, Myla Thomas Matus
    Molecular Similarity for Small Species: Refining the Isoelectronic Index. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:484-494 [Journal]
  8. Marcela Niño V., Edgar Eduardo Daza C., Myriam Tello
    A Criteria To Classify Biological Activity of Benzimidazoles from a Model of Structural Similarity. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:495-504 [Journal]
  9. Vellarkad N. Viswanadhan, Geoffrey A. Mueller, Subhash C. Basak, John N. Weinstein
    Comparison of a Neural Net-Based QSAR Algorithm (PCANN) with Hologram- and Multiple Linear Regression-Based QSAR Approaches: Application to 1, 4-Dihydropyridine-Based Calcium Channel Antagonists. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:505-511 [Journal]
  10. Haruo Hosoya, Sayaka Iwata, Minako Murokoshi, Michiko Atsumi
    Graph-Theoretical Analysis of Tunneling Electron Transfer in Large Polycyclic Aromatic Hydrocarbon Networks. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:512-516 [Journal]
  11. R. B. King
    Aromaticity in Transition Metal Oxide Structures. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:517-526 [Journal]
  12. Bono Lui, István Lukovits, Sonja Nikolic, Nenad Trinajstic
    Distance-Related Indexes in the Quantitative Structure-Property Relationship Modeling. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:527-535 [Journal]
  13. Ovidiu Ivanciuc, Teodora Ivanciuc, Douglas J. Klein, William A. Seitz, Alexandru T. Balaban
    Wiener Index Extension by Counting Even/Odd Graph Distances. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:536-549 [Journal]
  14. Milan Randic, Jure Zupan
    On Interpretation of Well-Known Topological Indices. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:550-560 [Journal]
  15. Milan Randic, Subhash C. Basak
    Characterization of DNA Primary Sequences Based on the Average Distances between Bases. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:561-568 [Journal]
  16. Alan R. Katritzky, Subbu Perumal, Ruslan Petrukhin, Erich Kleinpeter
    CODESSA-Based Theoretical QSPR Model for Hydantoin HPLC-RT Lipophilicities. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:569-574 [Journal]
  17. Milan Randic, Matevz Pompe
    The Variable Molecular Descriptors Based on Distance Related Matrices. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:575-581 [Journal]
  18. Danail Bonchev
    The Overall Wiener Index-A New Tool for Characterization of Molecular Topology. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:582-592 [Journal]
  19. Milan Randic, Alexandru T. Balaban, Subhash C. Basak
    On Structural Interpretation of Several Distance Related Topological Indices. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:593-601 [Journal]
  20. Milan Randic
    Retro-Regression-Another Important Multivariate Regression Improvement. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:602-606 [Journal]
  21. Milan Randic
    Novel Shape Descriptors for Molecular Graphs. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:607-613 [Journal]
  22. Milan Randic, Subhash C. Basak
    On Use of the Variable Connectivity Index 1f in QSAR: Toxicity of Aliphatic Ethers. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:614-618 [Journal]
  23. Milan Randic, Xiaofeng Guo, Subhash C. Basak
    On the Characterization of DNA Primary Sequences by Triplet of Nucleic Acid Bases. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:619-626 [Journal]
  24. Milan Randic
    Graph Valence Shells as Molecular Descriptors. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:627-630 [Journal]
  25. Milan Randic, Matevz Pompe
    The Variable Connectivity Index 1f versus the Traditional Molecular Descriptors: A Comparative Study of 1f Against Descriptors of CODESSA. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:631-638 [Journal]
  26. Milan Randic
    Graph Theoretical Descriptors of Two-Dimensional Chirality with Possible Extension to Three-Dimensional Chirality. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:639-649 [Journal]
  27. Milan Randic, Subhash C. Basak
    A New Descriptor for Structure-Property and Structure-Activity Correlations. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:650-656 [Journal]
  28. Milan Randic, Dejan Plavsic, Nella Lers
    Variable Connectivity Index for Cycle-Containing Structures. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:657-662 [Journal]
  29. Douglas M. Hawkins, Subhash C. Basak, Xiaofang Shi
    QSAR with Few Compounds and Many Features. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:663-670 [Journal]
  30. Subhash C. Basak, Denise R. Mills, Alexandru T. Balaban, Brian D. Gute
    Prediction of Mutagenicity of Aromatic and Heteroaromatic Amines from Structure: A Hierarchical QSAR Approach. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:671-678 [Journal]
  31. 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. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:679-685 [Journal]
  32. Jerry Ray Dias
    Further Developments in Determining the Number of Resonance Structures in Benzenoid Free Radicals: Analytical Expressions and Elementary Substructures. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:686-691 [Journal]
  33. Subhash C. Basak, Denise Mills
    Quantitative Structure-Property Relationships (QSPRs) for the Estimation of Vapor Pressure: A Hierarchical Approach Using Mathematical Structural Descriptors. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:692-701 [Journal]
  34. Johannes H. Voigt, Bruno Bienfait, Shaomeng Wang, Marc C. Nicklaus
    Comparison of the NCI Open Database with Seven Large Chemical Structural Databases. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:702-712 [Journal]
  35. S. D. D. V. Rughooputh, H. C. S. Rughooputh
    Neural Network Based Chemical Structure Indexing. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:713-717 [Journal]
  36. Takahiro Suzuki, Kunihito Ide, Masaru Ishida, S. Shapiro
    Classification of Environmental Estrogens by Physicochemical Properties Using Principal Component Analysis and Hierarchical Cluster Analysis. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:718-726 [Journal]
  37. Romualdo Benigni, Alessandro Giuliani, Laura Passerini
    Infrared Spectra as Chemical Descriptors for QSAR Models. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:727-730 [Journal]
  38. Roberto Olender, Rakefet Rosenfeld
    A Fast Algorithm for Searching for Molecules Containing a Pharmacophore in Very Large Virtual Combinatorial Libraries. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:731-738 [Journal]
  39. Ivan Gutman, Christoph Rücker, Gerta Rücker
    On Walks in Molecular Graphs. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:739-745 [Journal]
  40. Ling Xue, Florence L. Stahura, Jeffrey W. Godden, Jürgen Bajorath
    Fingerprint Scaling Increases the Probability of Identifying Molecules with Similar Activity in Virtual Screening Calculations. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:746-753 [Journal]
  41. Bradley P. Feuston, Michael D. Miller, J. Christopher Culberson, Robert B. Nachbar, Simon K. Kearsley
    Comparison of Knowledge-Based and Distance Geometry Approaches for Generation of Molecular Conformations. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:754-763 [Journal]
  42. S. E. O'Brien, Paul L. A. Popelier
    Quantum Molecular Similarity. 3. QTMS Descriptors. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:764-775 [Journal]
  43. Takahiro Suzuki, Ralf-Uwe Ebert, Gerrit Schüürmann
    Application of Neural Networks to Modeling and Estimating Temperature-Dependent Liquid Viscosity of Organic Compounds. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:776-790 [Journal]
  44. Ernesto Estrada, Enrique Molina
    3D Connectivity Indices in QSPR/QSAR Studies. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:791-797 [Journal]
  45. Dimitris K. Agrafiotis, Dmitrii N. Rassokhin
    Design and Prioritization of Plates for High-Throughput Screening. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:798-805 [Journal]
  46. Imre Bálint, Gergely Dezso, Iván Gyémánt
    Construction of a Perfectly N-Representable Two-Electron Density Matrix Carrying Full Information on an Interacting System. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:806-810 [Journal]
  47. Kjell Öberg, Anders Berglund, Ulf Edlund, Bertil Eliasson
    Prediction of Nonlinear Optical Responses of Organic Compounds. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:811-814 [Journal]
  48. Ronan Bureau, Cyril Daveu, Isabelle Baglin, Jana Sopkova-de Oliveira Santos, Jean-Charles Lancelot, Sylvain Rault
    Association of Two 3D QSAR Analyses. Application to the Study of Partial Agonist Serotonin-3 Ligands. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:815-823 [Journal]
  49. Jorge F. Magallanes, Patricia Smichowski, Julieta Marrero
    Optimization and Empirical Modeling of HG-ICP-AES Analytical Technique through Artificial Neural Networks. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:824-829 [Journal]
  50. Frank R. Burden
    Quantitative Structure-Activity Relationship Studies Using Gaussian Processes. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:830-835 [Journal]
  51. Lionello Pogliani
    How Far Are Molecular Connectivity Descriptors from IS Molecular Pseudoconnectivity Descriptors? [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:836-847 [Journal]
  52. 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. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:848-855 [Journal]
  53. Michael M. Hann, Andrew R. Leach, Gavin Harper
    Molecular Complexity and Its Impact on the Probability of Finding Leads for Drug Discovery. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:856-864 [Journal]
  54. G. Rücker
    On Finding Nonisomorphic Connected Subgraphs and Distinct Molecular Substructures [J. Chem. Inf. Comput. Sci. 41, 314-320 (2001)]. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:865- [Journal]
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