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Journals in DBLP

Journal of Chemical Information and Modeling
2004, volume: 44, number: 4

  1. Tingjun Hou, Xiaojie Xu
    ADME Evaluation in Drug Discovery. 2. Prediction of Partition Coefficient by Atom-Additive Approach Based on Atom-Weighted Solvent Accessible Surface Areas [J. Chem. Inf. Comput. Sci. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:4, pp:43- [Journal]
  2. Qian-Nan Hu, Yi-Zeng Liang, Hong Yin, Xiao-Ling Peng, Kai-Tai Fang
    Structural Interpretation of the Topological Index. 2. The Molecular Connectivity Index, the Kappa Index, and the Atom-type E-State Index. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:4, pp:1193-1201 [Journal]
  3. Varvara A. Latysheva, Ray Hefferlin
    Periodic Systems of Molecules as Elements of Shchukarev's "Supermatrix", i.e. the Chemical Element Periodic System. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:4, pp:1202-1209 [Journal]
  4. Jerry Ray Dias
    The Most Stable Class of Benzenoid Hydrocarbons-New Topological Correlations of Strain-Free Total Resonant Sextet Benzenoids. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:4, pp:1210-1220 [Journal]
  5. Robert J. Jilek, Richard D. Cramer
    Topomers: A Validated Protocol for Their Self-Consistent Generation. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:4, pp:1221-1227 [Journal]
  6. Xiaoquan Lu, Hongde Liu, Zhonghua Xue, Zhang Qiang
    Maximum Spectrum of Continuous Wavelet Transform and Its Application in Resolving an Overlapped Signal. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:4, pp:1228-1237 [Journal]
  7. Ernesto Estrada
    A Protein Folding Degree Measure and Its Dependence on Crystal Packing, Protein Size, Secondary Structure, and Domain Structural Class. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:4, pp:1238-1250 [Journal]
  8. S. S. Sheik, Sumit K. Aggarwal, Anindya Poddar, N. Balakrishnan, Krishna Sekar
    A FAST Pattern Matching Algorithm. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:4, pp:1251-1256 [Journal]
  9. Xiaojun Yao, Annick Panaye, Jean-Pierre Doucet, Ruisheng Zhang, Haifeng Chen, Mancang Liu, Zhide Hu, Bo Tao Fan
    Comparative Study of QSAR/QSPR Correlations Using Support Vector Machines, Radial Basis Function Neural Networks, and Multiple Linear Regression. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:4, pp:1257-1266 [Journal]
  10. C. X. Xue, Ruisheng Zhang, H. X. Liu, Mancang Liu, Zhide Hu, Bo Tao Fan
    Support Vector Machines-Based Quantitative Structure-Property Relationship for the Prediction of Heat Capacity. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:4, pp:1267-1274 [Journal]
  11. Ling Xue, Jeffrey W. Godden, Florence L. Stahura, Jürgen Bajorath
    Similarity Search Profiles as a Diagnostic Tool for the Analysis of Virtual Screening Calculations. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:4, pp:1275-1281 [Journal]
  12. Michel Deza, Mathieu Dutour, Patrick W. Fowler
    Zigzags, Railroads, and Knots in Fullerenes. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:4, pp:1282-1293 [Journal]
  13. James L. Melville, Jonathan D. Hirst
    On the Stability of CoMFA Models. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:4, pp:1294-1300 [Journal]
  14. Wei Chen, Jing Huang, Michael K. Gilson
    Identification of Symmetries in Molecules and Complexes. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:4, pp:1301-1313 [Journal]
  15. Luca Bellarosa, Patrick W. Fowler, Erwin Lijnen, Michel Deza
    Addition Patterns in Carbon Allotropes: Independence Numbers and d-Codes in the Klein and Related Graphs. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:4, pp:1314-1323 [Journal]
  16. Jie Song, Huanwen Tang
    Accurate Classification of Homodimeric vs Other Homooligomeric Proteins Using a New Measure of Information Discrepancy. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:4, pp:1324-1327 [Journal]
  17. Mehdi Jalali-Heravi, Anahita Kyani
    Use of Computer-Assisted Methods for the Modeling of the Retention Time of a Variety of Volatile Organic Compounds: A PCA-MLR-ANN Approach. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:4, pp:1328-1335 [Journal]
  18. Edward S. Blurock
    Detailed Mechanism Generation. 1. Generalized Reactive Properties as Reaction Class Substructures. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:4, pp:1336-1347 [Journal]
  19. Edward S. Blurock
    Detailed Mechanism Generation. 2. Aldehydes, Ketones, and Olefins. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:4, pp:1348-1357 [Journal]
  20. Thomas Ott, Albert Kern, Ansgar Schuffenhauer, Maxim Popov, Pierre Acklin, Edgar Jacoby, Ruedi Stoop
    Sequential Superparamagnetic Clustering for Unbiased Classification of High-Dimensional Chemical Data. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:4, pp:1358-1364 [Journal]
  21. Alexandre Varnek, Denis Fourches, Vitaly P. Solov'ev, Vladimir E. Baulin, Alexander N. Turanov, Vasili K. Karandashev, Dan C. Fara, Alan R. Katritzky
    "In Silico" Design of New Uranyl Extractants Based on Phosphoryl-Containing Podands: QSPR Studies, Generation and Screening of Virtual Combinatorial Library, and Experimental Tests. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:4, pp:1365-1382 [Journal]
  22. Irene Luque Ruiz, Gonzalo Cerruela García, Miguel Ángel Gómez-Nieto
    Representation of the Molecular Topology of Cyclical Structures by Means of Cycle Graphs. 2. Application to Clustering of Chemical Databases. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:4, pp:1383-1393 [Journal]
  23. John Binamé, Nathalie Meurice, Laurence Leherte, Janice I. Glasgow, Suzanne Fortier, Daniel P. Vercauteren
    Use of Electron Density Critical Points as Chemical Function-Based Reduced Representations of Pharmacological Ligands. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:4, pp:1394-1401 [Journal]
  24. Christoph Helma, Tobias Cramer, Stefan Kramer, Luc De Raedt
    Data Mining and Machine Learning Techniques for the Identification of Mutagenicity Inducing Substructures and Structure Activity Relationships of Noncongeneric Compounds. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:4, pp:1402-1411 [Journal]
  25. W. Michael Brown, David L. Vander Jagt
    Creating Artificial Binding Pocket Boundaries To Improve the Efficiency of Flexible Ligand Docking. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:4, pp:1412-1422 [Journal]
  26. Jaroslaw Polanski, Rafal Gieleciak, Tomasz Magdziarz, Andrzej Bak
    GRID Formalism for the Comparative Molecular Surface Analysis: Application to the CoMFA Benchmark Steroids, Azo Dyes, and HEPT Derivatives. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:4, pp:1423-1435 [Journal]
  27. Wei Wenying, Han Jinyu, Xu Wen
    Group Vector Space Method for Estimating Enthalpy of Vaporization of Organic Compounds at the Normal Boiling Point. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:4, pp:1436-1439 [Journal]
  28. Rajarshi Guha, Peter C. Jurs
    Development of QSAR Models To Predict and Interpret the Biological Activity of Artemisinin Analogues. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:4, pp:1440-1449 [Journal]
  29. M. Letizia Barreca, Angela Rao, Laura De Luca, Maria Zappalà, Cristina Gurnari, Pietro Monforte, Erik De Clercq, Bénédicte Van Maele, Zeger Debyser, Myriam Witvrouw, James M. Briggs, Alba Chimirri
    Efficient 3D Database Screening for Novel HIV-1 IN Inhibitors. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:4, pp:1450-1455 [Journal]
  30. Huili Yao, Aurora D. Costache, Daniel S. Sem
    Chemical Proteomic Tool for Ligand Mapping of CYP Antitargets: An NMR-Compatible 3D QSAR Descriptor in the Heme-Based Coordinate System. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:4, pp:1456-1465 [Journal]
  31. Joong-Youn Shim, Allyn C. Howlett
    Steric Trigger as a Mechanism for CB1 Cannabinoid Receptor Activation. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:4, pp:1466-1476 [Journal]
  32. Christel A. S. Bergström, Carola M. Wassvik, Ulf Norinder, Kristina Luthman, Per Artursson
    Global and Local Computational Models for Aqueous Solubility Prediction of Drug-Like Molecules. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:4, pp:1477-1488 [Journal]
  33. Richard D. Beger, Stephen Harris, Qian Xie
    Models of Steroid Binding Based on the Minimum Deviation of Structurally Assigned 13C NMR Spectra Analysis (MiDSASA). [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:4, pp:1489-1496 [Journal]
  34. Ying Xue, Chun Wei Yap, Li Zhi Sun, Zhi Wei Cao, J. F. Wang, Yu Zong Chen
    Prediction of P-Glycoprotein Substrates by a Support Vector Machine Approach. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:4, pp:1497-1505 [Journal]
  35. Hongmao Sun
    Prediction of Chemical Carcinogenicity from Molecular Structure. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:4, pp:1506-1514 [Journal]
  36. Urban Borstnik, Dusanka Janezic
    Reviews in Computational Chemistry. Volume 19 Edited by Kenny B. Lipkowitz, Raima Larter, and Thomas R. Cundari. Wiley-VCH 2003, ISBN 0-471-23585-7. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:4, pp:1515- [Journal]
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