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Journals in DBLP

Journal of Chemical Information and Modeling
2005, volume: 45, number: 4

  1. Alexander Böcker, Swetlana Derksen, Elena Schmidt, Andreas Teckentrup, Gisbert Schneider
    A Hierarchical Clustering Approach for Large Compound Libraries. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:807-815 [Journal]
  2. Michael Frenkel, Robert D. Chirico, Vladimir V. Diky, Xinjian Yan, Qian Dong, Chris Muzny
    ThermoData Engine (TDE): Software Implementation of the Dynamic Data Evaluation Concept. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:816-838 [Journal]
  3. Sabcho Dimitrov, Gergana Dimitrova, Todor Pavlov, Nadezhda Dimitrova, Grace Patlewicz, Jay Niemela, Ovanes Mekenyan
    A Stepwise Approach for Defining the Applicability Domain of SAR and QSAR Models. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:839-849 [Journal]
  4. Lijie Wang, Peter Warburton, Zsolt Szekeres, Peter Surjan, Paul G. Mezey
    Stability and Properties of Polyhelicenes and Annelated Fused-Ring Carbon Helices: Models Toward Helical Graphites. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:850-855 [Journal]
  5. Suxin Zheng, Xiaomin Luo, Gang Chen, Weiliang Zhu, Jianhua Shen, Kaixian Chen, Hualiang Jiang
    A New Rapid and Effective Chemistry Space Filter in Recognizing a Druglike Database. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:856-862 [Journal]
  6. Robin Hewitt, Alberto Gobbi, Man-Ling Lee
    A Searching and Reporting System for Relational Databases Using a Graph-Based Metadata Representation. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:863-869 [Journal]
  7. Teodora Ivanciuc, Ovidiu Ivanciuc, Douglas J. Klein
    Posetic Quantitative Superstructure/Activity Relationships (QSSARs) for Chlorobenzenes. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:870-879 [Journal]
  8. Peter Zinn
    Adaptive Multicomponent Analysis by Genetic Algorithms. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:880-887 [Journal]
  9. Sorel Muresan, Jens Sadowski
    "In-House Likeness": Comparison of Large Compound Collections Using Artificial Neural Networks. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:888-893 [Journal]
  10. César Hervás-Martínez, Alfonso Carlos Martínez, Manuel Silva, Juan Manuel Serrano
    Improving the Quantification of Highly Overlapping Chromatographic Peaks by Using Product Unit Neural Networks Modeled by an Evolutionary Algorithm. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:894-903 [Journal]
  11. Frances V. Buontempo, Xue Zhong Wang, Mulaisho Mwense, Nigel Horan, Anita Young, Daniel Osborn
    Genetic Programming for the Induction of Decision Trees to Model Ecotoxicity Data. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:904-912 [Journal]
  12. Alan R. Katritzky, Indrek Tulp, Dan C. Fara, Antonino Lauria, Uko Maran, William E. Acree Jr.
    A General Treatment of Solubility. 3. Principal Component Analysis (PCA) of the Solubilities of Diverse Solutes in Diverse Solvents. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:913-923 [Journal]
  13. Matthew D. Miller, David M. Yourtee, Alan G. Glaros, Cecil C. Chappelow, J. David Eick, Andrew J. Holder
    Quantum Mechanical Structure-Activity Relationship Analyses for Skin Sensitization. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:924-929 [Journal]
  14. Milan Soskic, Dejan Plavsic
    Modeling the Octanol-Water Partition Coefficients by an Optimized Molecular Connectivity Index. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:930-938 [Journal]
  15. Pierre Mahé, Nobuhisa Ueda, Tatsuya Akutsu, Jean-Luc Perret, Jean-Philippe Vert
    Graph Kernels for Molecular Structure-Activity Relationship Analysis with Support Vector Machines. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:939-951 [Journal]
  16. Shengqiao Li, Adam Fedorowicz, Harshinder Singh, Sidney C. Soderholm
    Application of the Random Forest Method in Studies of Local Lymph Node Assay Based Skin Sensitization Data. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:952-964 [Journal]
  17. Corneliu Buda, Abul B. Kazi, Adriana Dinescu, Thomas R. Cundari
    Stability Studies of Transition-Metal Linkage Isomers Using Quantum Mechanical Methods. Groups 11 and 12 Transition Metals. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:965-970 [Journal]
  18. James L. Melville, Kevin R. J. Lovelock, Claire Wilson, Bryan Allbutt, Edmund K. Burke, Barry Lygo, Jonathan D. Hirst
    Exploring Phase-Transfer Catalysis with Molecular Dynamics and 3D/4D Quantitative Structure-Selectivity Relationships. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:971-981 [Journal]
  19. C. W. Yap, Y. Z. Chen
    Prediction of Cytochrome P450 3A4, 2D6, and 2C9 Inhibitors and Substrates by Using Support Vector Machines. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:982-992 [Journal]
  20. Simon S. J. Cross
    Improved FlexX Docking Using FlexS-Determined Base Fragment Placement. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:993-1001 [Journal]
  21. Mircea V. Diudea
    Nanoporous Carbon Allotropes by Septupling Map Operations. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:1002-1009 [Journal]
  22. Jr-Hung Lin, Timothy Clark
    Nanoporous Carbon Allotropes by Septupling Map Operations. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:1010-1016 [Journal]
  23. Vladimir N. Maiorov, Robert P. Sheridan
    Enhanced Virtual Screening by Combined Use of Two Docking Methods: Getting the Most on a Limited Budget. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:1017-1023 [Journal]
  24. Qi Shen, Jian-Hui Jiang, Jing-chao Tao, Guo-Li Shen, Ru-Qin Yu
    Modified Ant Colony Optimization Algorithm for Variable Selection in QSAR Modeling: QSAR Studies of Cyclooxygenase Inhibitors. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:1024-1029 [Journal]
  25. Jan Cz. Dobrowolski, Aleksander P. Mazurek
    Model Carbyne vs Ideal and DNA Catenanes. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:1030-1038 [Journal]
  26. Harald Mauser, Olivier Roche, Martin Stahl, Stephan Müller
    Prediction of UV and ESI-MS Signal Intensities. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:1039-1046 [Journal]
  27. Brian S. Henriksen, Todd J. Zahn, Jeffrey D. Evanseck, Steven M. Firestine, Richard A. Gibbs
    Computational and Conformational Evaluation of FTase Alternative Substrates: Insight into a Novel Enzyme Binding Pocket. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:1047-1052 [Journal]
  28. Bernd Ehresmann, Marcel J. de Groot, Timothy Clark
    Surface-Integral QSPR Models: Local Energy Properties. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:1053-1060 [Journal]
  29. Chidochangu P. Mpamhanga, Beining Chen, Iain M. McLay, Daniel L. Ormsby, Mika K. Lindvall
    Retrospective Docking Study of PDE4B Ligands and an Analysis of the Behavior of Selected Scoring Functions. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:1061-1074 [Journal]
  30. Alban Lepailleur, Ronan Bureau, Magalie Paillet-Loilier, Frédéric Fabis, Nicolas Saettel, Stéphane Lemaître, François Dauphin, Aurélien Lesnard, Jean-Charles Lancelot, Sylvain Rault
    Molecular Modeling Studies Focused on 5-HT7 versus 5-HT1A Selectivity. Discovery of Novel Phenylpyrrole Derivatives with High Affinity for 5-HT7 Receptors. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:1075-1081 [Journal]
  31. Yovani Marrero-Ponce, Maité Iyarreta-Veitía, Alina Montero-Torres, Carlos Romero-Zaldivar, Carlos A. Brandt, Priscilla E. Ávila, Karin Kirchgatter, Yanetsy Machado
    Ligand-Based Virtual Screening and in Silico Design of New Antimalarial Compounds Using Nonstochastic and Stochastic Total and Atom-Type Quadratic Maps. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:1082-1100 [Journal]
  32. B. Gopalakrishnan, V. Aparna, J. Jeevan, M. Ravi, G. R. Desiraju
    A Virtual Screening Approach for Thymidine Monophosphate Kinase Inhibitors as Antitubercular Agents Based on Docking and Pharmacophore Models. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:1101-1108 [Journal]
  33. Rajarshi Guha, David T. Stanton, Peter C. Jurs
    Interpreting Computational Neural Network Quantitative Structure-Activity Relationship Models: A Detailed Interpretation of the Weights and Biases. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:1109-1121 [Journal]
  34. Jamal C. Saeh, Paul D. Lyne, Bryan K. Takasaki, David A. Cosgrove
    Lead Hopping Using SVM and 3D Pharmacophore Fingerprints. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:1122-1133 [Journal]
  35. Jinn-Moon Yang, Yen-Fu Chen, Tsai-Wei Shen, Bruce S. Kristal, D. Frank Hsu
    Consensus Scoring Criteria for Improving Enrichment in Virtual Screening. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:1134-1146 [Journal]
  36. Pasak Senawongse, Andrew R. Dalby, Zheng Rong Yang
    Predicting the Phosphorylation Sites Using Hidden Markov Models and Machine Learning Methods. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:1147-1152 [Journal]
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