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Journals in DBLP

Journal of Chemical Information and Modeling
2006, volume: 46, number: 4

  1. Gerald M. Maggiora
    On Outliers and Activity Cliffs-Why QSAR Often Disappoints. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2006, v:46, n:4, pp:1535- [Journal]
  2. Jean-François Truchon, Christopher I. Bayly
    GLARE: A New Approach for Filtering Large Reagent Lists in Combinatorial Library Design Using Product Properties. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2006, v:46, n:4, pp:1536-1548 [Journal]
  3. Justin Klekota, Erik Brauner, Frederick P. Roth, Stuart L. Schreiber
    Using High-Throughput Screening Data To Discriminate Compounds with Single-Target Effects from Those with Side Effects. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2006, v:46, n:4, pp:1549-1562 [Journal]
  4. Alexandru T. Balaban, Thomas G. Schmalz
    Strain-Free Sextet-Resonant Benzenoids and Their Antisextet Dualists. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2006, v:46, n:4, pp:1563-1579 [Journal]
  5. Modest von Korff, Kurt Hilpert
    Assessing the Predictive Power of Unsupervised Visualization Techniques to Improve the Identification of GPCR-Focused Compound Libraries. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2006, v:46, n:4, pp:1580-1587 [Journal]
  6. Sara H. Fitzgerald, Michal Sabat, H. Mario Geysen
    Diversity Space and Its Application to Library Selection and Design. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2006, v:46, n:4, pp:1588-1597 [Journal]
  7. Aleksandr Y. Sedykh, Gilles Klopman
    A Structural Analogue Approach to the Prediction of the Octanol-Water Partition Coefficient. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2006, v:46, n:4, pp:1598-1603 [Journal]
  8. Thy-Hou Lin, Shih-Hau Chiu, Keng-Chang Tsai
    Supervised Feature Ranking Using a Genetic Algorithm Optimized Artificial Neural Network. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2006, v:46, n:4, pp:1604-1614 [Journal]
  9. Elisabet Gregori-Puigjané, Jordi Mestres
    SHED: Shannon Entropy Descriptors from Topological Feature Distributions. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2006, v:46, n:4, pp:1615-1622 [Journal]
  10. Hanna Eckert, Ingo Vogt, Jürgen Bajorath
    Mapping Algorithms for Molecular Similarity Analysis and Ligand-Based Virtual Screening: Design of DynaMAD and Comparison with MAD and DMC. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2006, v:46, n:4, pp:1623-1634 [Journal]
  11. Andreas Kerzmann, Dirk Neumann, Oliver Kohlbacher
    SLICK - Scoring and Energy Functions for Protein-Carbohydrate Interactions. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2006, v:46, n:4, pp:1635-1642 [Journal]
  12. Mikhail E. Elyashberg, Kirill A. Blinov, Antony J. Williams, Sergey G. Molodtsov, Gary E. Martin
    Are Deterministic Expert Systems for Computer-Assisted Structure Elucidation Obsolete?. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2006, v:46, n:4, pp:1643-1656 [Journal]
  13. Joaquim Chaves Martinez, Joan M. Barroso, Patrick Bultinck, Ramon Carbó-Dorca
    Toward an Alternative Hardness Kernel Matrix Structure in the Electronegativity Equalization Method (EEM). [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2006, v:46, n:4, pp:1657-1665 [Journal]
  14. Elena Soriano, José Marco-Contelles, Cyrille Tomassi, Albert Nguyen Van Nhien, Denis Postel
    Computational Analysis of Aza Analogues of [2', 5'-Bis-O-(tert-butyldimethylsilyl)-beta-D-ribofuranose]-3'-spiro-5' '- (4' '-amino-1' ', 2' '-oxathiole-2' ', 2' '-dioxide) (TSAO) as HIV-1 Reverse Transcriptase Inhibitors: Relevance of Confor [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2006, v:46, n:4, pp:1666-1677 [Journal]
  15. Manuel Urbano-Cuadrado, Irene Luque Ruiz, Miguel Ángel Gómez-Nieto
    A Steroids QSAR Approach Based on Approximate Similarity Measurements. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2006, v:46, n:4, pp:1678-1686 [Journal]
  16. Milan Remko, Claus-Wilhelm von der Lieth
    Gas-Phase and Solution Conformations of Selected Dimeric Structural Units of Heparin. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2006, v:46, n:4, pp:1687-1694 [Journal]
  17. Andreas Steffen, Andreas Kämper, Thomas Lengauer
    Flexible Docking of Ligands into Synthetic Receptors Using a Two-Sided Incremental Construction Algorithm. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2006, v:46, n:4, pp:1695-1703 [Journal]
  18. Stéphane Betzi, Karsten Suhre, Bernard Chétrit, Françoise Guerlesquin, Xavier Morelli
    GFscore: A General Nonlinear Consensus Scoring Function for High-Throughput Docking. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2006, v:46, n:4, pp:1704-1712 [Journal]
  19. Rajarshi Guha, Debojyoti Dutta, Peter C. Jurs, Ting Chen
    R-NN Curves: An Intuitive Approach to Outlier Detection Using a Distance Based Method. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2006, v:46, n:4, pp:1713-1722 [Journal]
  20. Paul Laffort, Pierre Héricourt
    Solvation Parameters. 2. A Simplified Molecular Topology to Generate Easily Optimized Values. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2006, v:46, n:4, pp:1723-1734 [Journal]
  21. Michael H. Abraham, Adam Ibrahim
    Gas to Olive Oil Partition Coefficients: A Linear Free Energy Analysis. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2006, v:46, n:4, pp:1735-1741 [Journal]
  22. Yan Li
    Bayesian Model Based Clustering Analysis: Application to a Molecular Dynamics Trajectory of the HIV-1 Integrase Catalytic Core. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2006, v:46, n:4, pp:1742-1750 [Journal]
  23. Noel Ferro, Ana Gallegos, Patrick Bultinck, Hans-Jörg Jacobsen, Ramon Carbó-Dorca, Thomas Reinard
    Coulomb and Overlap Self-Similarities: A Comparative Selectivity Analysis of Structure-Function Relationships for Auxin-like Molecules. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2006, v:46, n:4, pp:1751-1762 [Journal]
  24. Pooja Sharma, Nanda Ghoshal
    Exploration of a Binding Mode of Benzothiazol-2-yl Acetonitrile Pyrimidine Core Based Derivatives as Potent c-Jun N-Terminal Kinase-3 Inhibitors and 3D-QSAR Analyses. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2006, v:46, n:4, pp:1763-1774 [Journal]
  25. Elizabeth A. Amin, William J. Welsh
    Highly Predictive CoMFA and CoMSIA Models for Two Series of Stromelysin-1 (MMP-3) Inhibitors Elucidate S1' and S1-S2' Binding Modes. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2006, v:46, n:4, pp:1775-1783 [Journal]
  26. K. V. V. M. Sai Ram, G. Rambabu, J. A. R. P. Sarma, Gautam R. Desiraju
    Ligand Coordinate Analysis of SC-558 from the Active Site to the Surface of COX-2: A Molecular Dynamics Study. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2006, v:46, n:4, pp:1784-1794 [Journal]
  27. Tímea Polgár, György M. Keserü
    Ensemble Docking into Flexible Active Sites. Critical Evaluation of FlexE against JNK-3 and beta-Secretase. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2006, v:46, n:4, pp:1795-1805 [Journal]
  28. Dharmesh M. Maniyar, Ian T. Nabney, Bruce S. Williams, Andreas Sewing
    Data Visualization during the Early Stages of Drug Discovery. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2006, v:46, n:4, pp:1806-1818 [Journal]
  29. Xiao-Lei Zhu, Li Zhang, Qiong Chen, Jian Wan, Guangfu Yang
    Interactions of Aryloxyphenoxypropionic Acids with Sensitive and Resistant Acetyl-Coenzyme A Carboxylase by Homology Modeling and Molecular Dynamic Simulations. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2006, v:46, n:4, pp:1819-1826 [Journal]
  30. Hong Liang, Xing Wu, Lynn J. Guziec, Frank S. Guziec Jr., Kimberly K. Larson, Jennifer Lang, Jack C. Yalowich, Brian B. Hasinoff
    A Structure-Based 3D-QSAR Study of Anthrapyrazole Analogues of the Anticancer Agents Losoxantrone and Piroxantrone. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2006, v:46, n:4, pp:1827-1835 [Journal]
  31. Rajarshi Guha, Debojyoti Dutta, Peter C. Jurs, Ting Chen
    Local Lazy Regression: Making Use of the Neighborhood to Improve QSAR Predictions. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2006, v:46, n:4, pp:1836-1847 [Journal]
  32. Johannes Kirchmair, Gerhard Wolber, Christian Laggner, Thierry Langer
    Comparative Performance Assessment of the Conformational Model Generators Omega and Catalyst: A Large-Scale Survey on the Retrieval of Protein-Bound Ligand Conformations. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2006, v:46, n:4, pp:1848-1861 [Journal]
  33. Alex Strizhev, Edmond J. Abrahamian, Sun Choi, Joseph M. Leonard, Philippa R. N. Wolohan, Robert D. Clark
    The Effects of Biasing Torsional Mutations in a Conformational GA. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2006, v:46, n:4, pp:1862-1870 [Journal]
  34. Brian Palmer, Joseph F. Danzer, Kevin Hambly, Derek A. Debe
    StructSorter: A Method for Continuously Updating a Comprehensive Protein Structure Alignment Database. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2006, v:46, n:4, pp:1871-1876 [Journal]
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