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Journals in DBLP

Journal of Chemical Information and Computer Sciences
2003, volume: 43, number: 1

  1. Pierre Hansen, Hadrien Mélot
    Variable Neighborhood Search for Extremal Graphs, 6. Analyzing Bounds for the Connectivity Index. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:1, pp:1-14 [Journal]
  2. Vladimir V. Diky, Robert D. Chirico, Randolph C. Wilhoit, Qian Dong, Michael Frenkel
    Windows-Based Guided Data Capture Software for Mass-Scale Thermophysical and Thermochemical Property Data Collection. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:1, pp:15-24 [Journal]
  3. Zina Ben-Miled, Yang Liu, David Powers, Omran A. Bukhres, Michael Bem, Robert Jones, Robert J. Oppelt
    An Efficient Implementation of a Drug Candidate Database. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:1, pp:25-35 [Journal]
  4. Artur Ratkiewicz, Thanh N. Truong
    Application of Chemical Graph Theory for Automated Mechanism Generation. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:1, pp:36-44 [Journal]
  5. Tibor Braun
    The Reliability of Total Citation Rankings. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:1, pp:45-46 [Journal]
  6. Jennifer L. Miller, Erin K. Bradley, Steven L. Teig
    Luddite: An Information-Theoretic Library Design Tool. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:1, pp:47-54 [Journal]
  7. Swati Puri, James S. Chickos, William J. Welsh
    Three-Dimensional Quantitative Structure-Property Relationship (3D-QSPR) Models for Prediction of Thermodynamic Properties of Polychlorinated Biphenyls (PCBs): Enthalpies of Fusion and Their Application to Estimates of Enthalpies of Sublimation and Aqueou [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:1, pp:55-62 [Journal]
  8. Gustavo A. Arteca
    A Measure of Folding Complexity for D-Dimensional Polymers. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:1, pp:63-67 [Journal]
  9. Ned C. Haubein, Scott A. McMillan, Linda J. Broadbelt
    Many-Body Optimization Using an Ab Initio Monte Carlo Method. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:1, pp:68-74 [Journal]
  10. Ernesto Estrada, Humberto González
    What Are the Limits of Applicability for Graph Theoretic Descriptors in QSPR/QSAR? Modeling Dipole Moments of Aromatic Compounds with TOPS-MODE Descriptors. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:1, pp:75-84 [Journal]
  11. Denise Yaffe, Yoram Cohen, Gabriela Espinosa, Alex Arenas, Francesc Giralt
    A Fuzzy ARTMAP-Based Quantitative Structure-Property Relationship (QSPR) for the Henry's Law Constant of Organic Compounds. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:1, pp:85-112 [Journal]
  12. Tomoko Niwa
    Using General Regression and Probabilistic Neural Networks To Predict Human Intestinal Absorption with Topological Descriptors Derived from Two-Dimensional Chemical Structures. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:1, pp:113-119 [Journal]
  13. Corwin Hansch, Wayne E. Steinmetz, Albert J. Leo, Suresh Babu Mekapati, Alka Kurup, David Hoekman
    On the Role of Polarizability in Chemical-Biological Interactions. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:1, pp:120-125 [Journal]
  14. Tomas Edvinsson, Gustavo A. Arteca, Christer Elvingson
    Path-Space Ratio as a Molecular Shape Descriptor of Polymer Conformation. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:1, pp:126-133 [Journal]
  15. Benjamin C. P. Allen, Guy H. Grant, W. Graham Richards
    Calculation of Protein Domain Structural Similarity Using Two-Dimensional Representations. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:1, pp:134-143 [Journal]
  16. Alexander Golbraikh, Alexander Tropsha
    QSAR Modeling Using Chirality Descriptors Derived from Molecular Topology. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:1, pp:144-154 [Journal]
  17. Ola Engkvist, Paul Wrede, Ulrich Rester
    Prediction of CNS Activity of Compound Libraries Using Substructure Analysis. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:1, pp:155-160 [Journal]
  18. Biye Ren
    Atomic-Level-Based AI Topological Descriptors for Structure-Property Correlations. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:1, pp:161-169 [Journal]
  19. Patrick Bultinck, Ramon Carbó-Dorca
    Molecular Quantum Similarity Matrix Based Clustering of Molecules Using Dendrograms. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:1, pp:170-177 [Journal]
  20. M. Lawrence Ellzey Jr.
    Finite Group Theory for Large Systems. 1. Symmetry-Adaptation. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:1, pp:178-181 [Journal]
  21. Jeffrey W. Godden, John R. Furr, Jürgen Bajorath
    Recursive Median Partitioning for Virtual Screening of Large Databases. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:1, pp:182-188 [Journal]
  22. Les M. Sztandera, Mendel Trachtman, Charles Bock, Janardhan Velga, Ashish Garg
    Soft Computing in the Design of Nontoxic Chemicals. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:1, pp:189-198 [Journal]
  23. Rosalia Pascual, Marta Mateu, Johann Gasteiger, José I. Borrell, Jordi Teixidó
    Design and Analysis of a Combinatorial Library of HEPT Analogues: Comparison of Selection Methodologies and Inspection of the Actually Covered Chemical Space. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:1, pp:199-207 [Journal]
  24. Doron Chema, Amiram Goldblum
    The "Nearest Single Neighbor" Method-Finding Families of Conformations within a Sample. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:1, pp:208-217 [Journal]
  25. Miklos Feher, Jonathan M. Schmidt
    Property Distributions: Differences between Drugs, Natural Products, and Molecules from Combinatorial Chemistry. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:1, pp:218-227 [Journal]
  26. Vladimir Poroikov, Dmitrii Filimonov, Wolf-Dietrich Ihlenfeldt, Tatyana Gloriozova, Alexey Lagunin, Yulia V. Borodina, Alla Stepanchikova, Marc C. Nicklaus
    PASS Biological Activity Spectrum Predictions in the Enhanced Open NCI Database Browser. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:1, pp:228-236 [Journal]
  27. Robert Jäger, Stefan M. Kast, Jürgen Brickmann
    Parametrization Strategy for the MolFESD Concept: Quantitative Surface Representation of Local Hydrophobicity. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:1, pp:237-247 [Journal]
  28. Marina Cotta-Ramusino, Romualdo Benigni, Laura Passerini, Alessandro Giuliani
    Looking for an Unambiguous Geometrical Definition of Organic Series from 3-D Molecular Similarity Indices. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:1, pp:248-254 [Journal]
  29. Lemont B. Kier, Cho-Kung Cheng, Bernard Testa
    Studies of Ligand Diffusion Pathways over a Protein Surface. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:1, pp:255-258 [Journal]
  30. Assia Kovatcheva, Gerhard Buchbauer, Alexander Golbraikh, Peter Wolschann
    QSAR Modeling of alpha-Campholenic Derivatives with Sandalwood Odor. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:1, pp:259-266 [Journal]
  31. Yongping Pan, Niu Huang, Sam Cho, Alexander D. MacKerell Jr.
    Consideration of Molecular Weight during Compound Selection in Virtual Target-Based Database Screening. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:1, pp:267-272 [Journal]
  32. Tingjun Hou, Lili Zhu, Lirong Chen, Xiaojie Xu
    Mapping the Binding Site of a Large Set of Quinazoline Type EGF-R Inhibitors Using Molecular Field Analyses and Molecular Docking Studies. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:1, pp:273-287 [Journal]
  33. Nathan Brown, Peter Willett, David J. Wilton, Richard A. Lewis
    Generation and Display of Activity-Weighted Chemical Hyperstructures. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:1, pp:288-297 [Journal]
  34. Tao Peng, Jianfeng Pei, Jiaju Zhou
    3D-QSAR and Receptor Modeling of Tyrosine Kinase Inhibitors with Flexible Atom Receptor Model (FLARM). [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:1, pp:298-303 [Journal]
  35. Gerhard Bringmann, Christian Rummey
    3D QSAR Investigations on Antimalarial Naphthylisoquinoline Alkaloids by Comparative Molecular Similarity Indices Analysis (CoMSIA), Based on Different Alignment Approaches. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:1, pp:304-316 [Journal]
  36. Alberto Gobbi, Man-Ling Lee
    DISE: Directed Sphere Exclusion. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:1, pp:317-323 [Journal]
  37. Xuan Hong, Anton J. Hopfinger
    3D-Pharmacophores of Flavonoid Binding at the Benzodiazepine GABAA Receptor Site Using 4D-QSAR Analysis. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:1, pp:324-336 [Journal]
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