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Journals in DBLP

Journal of Chemical Information and Computer Sciences
2003, volume: 43, number: 5

  1. Feng Yang, Zhen-Dong Wang, Yun-Ping Huang, Pei-jiang Zhou
    Modification of the Wiener Index. 2. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:5, pp:1337-1341 [Journal]
  2. Georgios V. Gkoutos, Henry S. Rzepa, Richard M. Clark, Osei Adjei, Harpal Johal
    Chemical Machine Vision: Automated Extraction of Chemical Metadata from Raster Images. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:5, pp:1342-1355 [Journal]
  3. Philip N. Judson, Jonathan D. Vessey
    A Comprehensive Approach to Argumentation. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:5, pp:1356-1363 [Journal]
  4. Philip N. Judson, Carol A. Marchant, Jonathan D. Vessey
    Using Argumentation for Absolute Reasoning about the Potential Toxicity of Chemicals. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:5, pp:1364-1370 [Journal]
  5. William G. Button, Philip N. Judson, Anthony Long, Jonathan D. Vessey
    Using Absolute and Relative Reasoning in the Prediction of the Potential Metabolism of Xenobiotics. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:5, pp:1371-1377 [Journal]
  6. Irene Luque Ruiz, Gonzalo Cerruela García, Miguel Ángel Gómez-Nieto
    Computer-Assisted Learning Using a Dialogue System for Virtual Teacher-Student Communication. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:5, pp:1378-1389 [Journal]
  7. Masamoto Arakawa, Kiyoshi Hasegawa, Kimito Funatsu
    Novel Alignment Method of Small Molecules Using the Hopfield Neural Network. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:5, pp:1390-1395 [Journal]
  8. Masamoto Arakawa, Kiyoshi Hasegawa, Kimito Funatsu
    Application of the Novel Molecular Alignment Method Using the Hopfield Neural Network to 3D-QSAR. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:5, pp:1396-1402 [Journal]
  9. Jorge F. Magallanes, Jure Zupan, Darío Gomez, Silvia Reich, Laura Dawidowski, Neva Groselj
    The Mean Angular Distance Among Objects and Its Relationships with Kohonen Artificial Neural Networks. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:5, pp:1403-1411 [Journal]
  10. Suwipa Saen-oon, Supa Hannongbua, Peter Wolschann
    Structural Flexibility of Non-Nucleoside HIV-1 Reverse Transcriptase Inhibitor: 9-Cl TIBO as Explained by Potential Energy Surface and 13C and 1H NMR Calculations, Based on ab initio and Density Functional Study. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:5, pp:1412-1422 [Journal]
  11. David T. Stanton
    On the Physical Interpretation of QSAR Models. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:5, pp:1423-1433 [Journal]
  12. Andrey A. Korytko, Klaus-Peter Schulz, Mark S. Madison, Morton E. Munk
    HOUDINI: A New Approach to Computer-Based Structure Generation. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:5, pp:1434-1446 [Journal]
  13. Klaus-Peter Schulz, Andrey A. Korytko, Morton E. Munk
    Applications of a HOUDINI-Based Structure Elucidation System. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:5, pp:1447-1456 [Journal]
  14. Jarmo Huuskonen
    Prediction of Soil Sorption Coefficient of a Diverse Set of Organic Chemicals From Molecular Structure. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:5, pp:1457-1462 [Journal]
  15. Jun Feng, Laura Lurati, Haojun Ouyang, Tracy Robinson, Yuanyuan Wang, Shenglan Yuan, S. Stanley Young
    Predictive Toxicology: Benchmarking Molecular Descriptors and Statistical Methods. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:5, pp:1463-1470 [Journal]
  16. Dorte B. Lerche, Peter B. Sørensen, Rainer Brüggemann
    Improved Estimation of the Ranking Probabilities in Partial Orders Using Random Linear Extensions by Approximation of the Mutual Ranking Probability. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:5, pp:1471-1480 [Journal]
  17. M. Michael Gromiha
    Importance of Native-State Topology for Determining the Folding Rate of Two-State Proteins. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:5, pp:1481-1485 [Journal]
  18. Marko Golicnik, Jure Stojan
    Generalized Theoretical and Practical Treatment of the Kinetics of an Enzyme-Catalyzed Reaction in the Presence of an Enzyme Equimolar Irreversible Inhibitor. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:5, pp:1486-1493 [Journal]
  19. Jerry Ray Dias
    Disjoint Molecular Orbitals in Nonalternant Conjugated Diradical Hydrocarbons. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:5, pp:1494-1501 [Journal]
  20. Gerrit Schüürmann, Simona Funar-Timofei
    Multilinear Regression and Comparative Molecular Field Analysis (CoMFA) of Azo Dye-Fiber Affinities. 2. Inclusion of Solution-Phase Molecular Orbital Descriptors. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:5, pp:1502-1512 [Journal]
  21. Boris Johnson-Restrepo, Leonardo Pacheco-Londoño, Jesús Olivero-Verbel
    Molecular Parameters Responsible for the Melting Point of 1, 2, 3-Diazaborine Compounds. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:5, pp:1513-1519 [Journal]
  22. Michele Seeber, Pier Giuseppe De Benedetti, Francesca Fanelli
    Molecular Dynamics Simulations of the Ligand-Induced Chemical Information Transfer in the 5-HT1A Receptor. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:5, pp:1520-1531 [Journal]
  23. Branimir Bertosa, Biserka Kojic-Prodic, Rebecca C. Wade, Michael Ramek, Stavroula Piperaki, Anna Tsantili-Kakoulidou, Sanja Tomic
    A New Approach To Predict the Biological Activity of Molecules Based on Similarity of Their Interaction Fields and the logP and logD Values: Application to Auxins. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:5, pp:1532-1541 [Journal]
  24. Fabio Zuccotto
    Pharmacophore Features Distributions in Different Classes of Compounds. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:5, pp:1542-1552 [Journal]
  25. Konstantin V. Balakin, Stanley A. Lang, Andrey V. Skorenko, Sergey E. Tkachenko, Andrey A. Ivashchenko, Nikolay P. Savchuk
    Structure-Based versus Property-Based Approaches in the Design of G-Protein-Coupled Receptor-Targeted Libraries. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:5, pp:1553-1562 [Journal]
  26. Julius Sipilä, Alan M. Hood, Michael W. H. Coughtrie, Jyrki Taskinen
    CoMFA Modeling of Enzyme Kinetics: Km Values for Sulfation of Diverse Phenolic Substrates by Human Catecholamine Sulfotransferase SULT1A3. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:5, pp:1563-1569 [Journal]
  27. Taesung Moon, Jin-Soo Song, Jin Kak Lee, Chang No Yoon
    QSAR Analysis of SH2-Binding Phosphopeptides: Using Interaction Energies and Cross-Correlation Coefficients. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:5, pp:1570-1575 [Journal]
  28. Csaba Hetényi, Uko Maran, Mati Karelson
    A Comprehensive Docking Study on the Selectivity of Binding of Aromatic Compounds to Proteins. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:5, pp:1576-1583 [Journal]
  29. Mayuso Kuno, Rungtiva Palangsuntikul, Supa Hannongbua
    Investigation on an Orientation and Interaction Energy of the Water Molecule in the HIV-1 Reverse Transcriptase Active Site by Quantum Chemical Calculations. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:5, pp:1584-1590 [Journal]
  30. Dahua Pan, Yufeng Tseng, Anton J. Hopfinger
    Quantitative Structure-Based Design: Formalism and Application of Receptor-Dependent RD-4D-QSAR Analysis to a Set of Glucose Analogue Inhibitors of Glycogen Phosphorylase. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:5, pp:1591-1607 [Journal]
  31. Thomas P. Stockfisch
    Partially Unified Multiple Property Recursive Partitioning (PUMP-RP): A New Method for Predicting and Understanding Drug Selectivity. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:5, pp:1608-1613 [Journal]
  32. Shashidhar N. Rao, Thomas P. Stockfisch
    Partially Unified Multiple Property Recursive Partitioning (PUMP-RP) Analyses of Cyclooxygenase (COX) Inhibitors. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:5, pp:1614-1622 [Journal]
  33. Santosh Putta, John Eksterowicz, Christian Lemmen, Robert Stanton
    A Novel Subshape Molecular Descriptor. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:5, pp:1623-1635 [Journal]
  34. Yulia V. Borodina, A. Sadym, Dmitrii Filimonov, V. Blinova, A. Dmitriev, Vladimir Poroikov
    Predicting Biotransformation Potential from Molecular Structure. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:5, pp:1636-1646 [Journal]
  35. Corwin Hansch, Alka Kurup
    QSAR of Chemical Polarizability and Nerve Toxicity. 2. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:5, pp:1647-1651 [Journal]
  36. Kenneth A. Marx, Philip O'Neil, Patrick Hoffman, M. L. Ujwal
    Data Mining the NCI Cancer Cell Line Compound GI50 Values: Identifying Quinone Subtypes Effective Against Melanoma and Leukemia Cell Classes. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:5, pp:1652-1667 [Journal]
  37. Jian Shen
    HAD: An Automated Database Tool for Analyzing Screening Hits in Drug Discovery. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:5, pp:1668-1672 [Journal]
  38. Steven M. Muskal, Sanjiv Kumar Jha, M. Phani Kishore, Prashant Tyagi
    A Simple and Readily Integratable Approach to Toxicity Prediction. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:5, pp:1673-1678 [Journal]
  39. Shijin Ren
    Modeling the Toxicity of Aromatic Compounds to Tetrahymena pyriformis: The Response Surface Methodology with Nonlinear Methods. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:5, pp:1679-1687 [Journal]
  40. Miguel Murcia-Soler, Facundo Pérez-Giménez, Francisco J. García-March, M. Teresa Salabert-Salvador, Wladimiro Díaz Villanueva, María José Castro Bleda
    Drugs and Nondrugs: An Effective Discrimination with Topological Methods and Artificial Neural Networks. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:5, pp:1688-1702 [Journal]
  41. Vitaly P. Solov'ev, Alexandre Varnek
    Anti-HIV Activity of HEPT, TIBO, and Cyclic Urea Derivatives: Structure-Property Studies, Focused Combinatorial Library Generation, and Hits Selection Using Substructural Molecular Fragments Method. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:5, pp:1703-1719 [Journal]
  42. Ivan Gutman
    QSPR/QSAR Studies by Molecular Descriptors By Mircea V. Diudea. Nova Science Publishers 2001, ISBN 1-5672-859-0. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:5, pp:1720-1721 [Journal]
  43. Anselm H. C. Horn
    Essentials of Computational Chemistry, Theories and Models By Christopher J. Cramer. Wiley 2002, ISBN 0-471-48551-9. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:5, pp:1720-1720 [Journal]
  44. Robert E. Buntrock
    Library Handbook for Organic Chemists By Andrew Poss. Chemical Publishing 2000, ISBN 0-8206-0361-9. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:5, pp:1721-1722 [Journal]
  45. D. J. Klein
    Applied Finite Group Actions By Adalbert Kerber. Springer-Verlag 1999, ISBN 35-4065-9412. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:5, pp:1722-1723 [Journal]
  46. Milan Randic, Alexandru T. Balaban
    On a Four-Dimensional Representation of DNA Primary Sequences [Journal of Chemical Information and Computer Sciences 43, 532-539 (2003)]. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:5, pp:1724-1724 [Journal]
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