The SCEAS System
Navigation Menu

Journals in DBLP

Journal of Chemical Information and Modeling
2005, volume: 45, number: 3

  1. Wei-Qi Lin, Jian-Hui Jiang, Qi Shen, Hai-Long Wu, Guo-Li Shen, Ru-Qin Yu
    Piecewise Hypersphere Modeling by Particle Swarm Optimization in QSAR Studies of Bioactivities of Chemical Compounds. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:3, pp:535-541 [Journal]
  2. Martin Stahl, Harald Mauser
    Database Clustering with a Combination of Fingerprint and Maximum Common Substructure Methods. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:3, pp:542-548 [Journal]
  3. Robert N. Jorissen, Michael K. Gilson
    Virtual Screening of Molecular Databases Using a Support Vector Machine. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:3, pp:549-561 [Journal]
  4. Jerry Ray Dias
    Perimeter Topology of Benzenoid Polycyclic Hydrocarbons. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:3, pp:562-571 [Journal]
  5. Muthukumarasamy Karthikeyan, Andreas Bender
    Encoding and Decoding Graphical Chemical Structures as Two-Dimensional (PDF417) Barcodes. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:3, pp:572-580 [Journal]
  6. Muthukumarasamy Karthikeyan, Robert C. Glen, Andreas Bender
    General Melting Point Prediction Based on a Diverse Compound Data Set and Artificial Neural Networks. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:3, pp:581-590 [Journal]
  7. Tulay Ercanli, Donald B. Boyd
    Evaluation of Computational Chemistry Methods: Crystallographic and Cheminformatics Analysis of Aminothiazole Methoximes. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:3, pp:591-601 [Journal]
  8. Stefano Alcaro, Francesco Ortuso, Robert S. Coleman
    Molecular Modeling of DNA Cross-linking Analogues Based on the Azinomycin Scaffold. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:3, pp:602-609 [Journal]
  9. Milind Misra, Amit Banerjee, Rajesh N. Davé, Carol A. Venanzi
    Novel Feature Extraction Technique for Fuzzy Relational Clustering of a Flexible Dopamine Reuptake Inhibitor. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:3, pp:610-623 [Journal]
  10. Alfonso T. García-Sosa, Stuart Firth-Clark, Ricardo L. Mancera
    Including Tightly-Bound Water Molecules in de Novo Drug Design. Exemplification through the in Silico Generation of Poly(ADP-ribose)polymerase Ligands. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:3, pp:624-633 [Journal]
  11. Filip Fratev, Emilio Benfenati
    3D-QSAR and Molecular Mechanics Study for the Differences in the Azole Activity against Yeastlike and Filamentous Fungi and Their Relation to P450DM Inhibition. 1. 3-Substituted-4(3H)-quinazolinones. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:3, pp:634-644 [Journal]
  12. Alessandra R. Rufino, Antônio J. C. Brant, João B. O. Santos, Marcelo J. P. Ferreira, Vicente de Paulo Emerenciano
    Simple Method for Identification of Skeletons of Aporphine Alkaloids from 13C NMR Data Using Artificial Neural Networks. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:3, pp:645-651 [Journal]
  13. Tadeusz Marek Krygowski, Halina Szatylowicz, Joanna E. Zachara
    Molecular Geometry as a Source of Chemical Information. 5. Substituent Effect on Proton Transfer in Para-Substituted Phenol Complexes with Fluoride-a B3LYP/6-311+G** Study. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:3, pp:652-656 [Journal]
  14. Yegor Zyrianov
    Distribution-Based Descriptors of the Molecular Shape. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:3, pp:657-672 [Journal]
  15. James A. Haigh, Barry T. Pickup, J. Andrew Grant, Anthony Nicholls
    Small Molecule Shape-Fingerprints. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:3, pp:673-684 [Journal]
  16. Philippe Vismara, Yannic S. Tognetti, Claude Laurenço
    Maximum Symmetrical Split of Molecular Graphs. Application to Organic Synthesis Design. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:3, pp:685-695 [Journal]
  17. Martin J. Bayley, Eleanor J. Gardiner, Peter Willett, Peter J. Artymiuk
    A Fourier Fingerprint-Based Method for Protein Surface Representation. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:3, pp:696-707 [Journal]
  18. Elodie Lescot, Ronan Bureau, Jana Sopkova-de Oliveira Santos, Christophe Rochais, Vincent Lisowski, Jean-Charles Lancelot, Sylvain Rault
    3D-QSAR and Docking Studies of Selective GSK-3beta Inhibitors. Comparison with a Thieno[2, 3-b]pyrrolizinone Derivative, a New Potential Lead for GSK-3beta Ligands. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:3, pp:708-715 [Journal]
  19. Theodora M. Steindl, Christian Laggner, Thierry Langer
    Human Rhinovirus 3C Protease: Generation of Pharmacophore Models for Peptidic and Nonpeptidic Inhibitors and Their Application in Virtual Screening. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:3, pp:716-724 [Journal]
  20. Vema Aparna, G. Rambabu, Sunil K. Panigrahi, J. A. R. P. Sarma, Gautam R. Desiraju
    Virtual Screening of 4-Anilinoquinazoline Analogues as EGFR Kinase Inhibitors: Importance of Hydrogen Bonds in the Evaluation of Poses and Scoring Functions. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:3, pp:725-738 [Journal]
  21. Nikolaus Stiefl, Knut Baumann
    Structure-Based Validation of the 3D-QSAR Technique MaP. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:3, pp:739-749 [Journal]
  22. Yong-Hua Wang, Yan Li, Sheng-Li Yang, Ling Yang
    Classification of Substrates and Inhibitors of P-Glycoprotein Using Unsupervised Machine Learning Approach. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:3, pp:750-757 [Journal]
  23. Céline Le Bailly de Tilleghem, Benoît Beck, Bruno Boulanger, Bernadette Govaerts
    A Fast Exchange Algorithm for Designing Focused Libraries in Lead Optimization. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:3, pp:758-767 [Journal]
  24. T. John McNeany, Jonathan D. Hirst
    Inhibition of the Tyrosine Kinase, Syk, Analyzed by Stepwise Nonparametric Regression. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:3, pp:768-776 [Journal]
  25. Peter Itskowitz, Alexander Tropsha
    k Nearest Neighbors QSAR Modeling as a Variational Problem: Theory and Applications. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:3, pp:777-785 [Journal]
  26. Vladimir Svetnik, Ting Wang, Christopher Tong, Andy Liaw, Robert P. Sheridan, Qinghua Song
    Boosting: An Ensemble Learning Tool for Compound Classification and QSAR Modeling. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:3, pp:786-799 [Journal]
  27. Rajarshi Guha, Peter C. Jurs
    Interpreting Computational Neural Network QSAR Models: A Measure of Descriptor Importance. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:3, pp:800-806 [Journal]
NOTICE1
System may not be available sometimes or not working properly, since it is still in development with continuous upgrades
NOTICE2
The rankings that are presented on this page should NOT be considered as formal since the citation info is incomplete in DBLP
 
System created by asidirop@csd.auth.gr [http://users.auth.gr/~asidirop/] © 2002
for Data Engineering Laboratory, Department of Informatics, Aristotle University © 2002