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Gilles Klopman: [Publications] [Author Rank by year] [Co-authors] [Prefers] [Cites] [Cited by]

Publications of Author

  1. Gilles Klopman, Ju-Yun Li
    Quantitative structure-agonist activity relationship of capsaicin analogues. [Citation Graph (0, 0)][DBLP]
    Journal of Computer-Aided Molecular Design, 1995, v:9, n:3, pp:283-294 [Journal]
  2. Gilles Klopman, Dmitri Ptchelintsev
    Antifungal triazole alcohols: A comparative analysis of structure-activity, structure-teratogenicity and structure-therapeutic index relationships using the Multiple Computer-Automated Structure Evaluation (Multi-CASE) methodology. [Citation Graph (0, 0)][DBLP]
    Journal of Computer-Aided Molecular Design, 1993, v:7, n:3, pp:349-362 [Journal]
  3. Gilles Klopman, Hao Zhu, Gerhard F. Ecker, Peter Chiba
    MCASE study of the multidrug resistance reversal activity of propafenone analogs. [Citation Graph (0, 0)][DBLP]
    Journal of Computer-Aided Molecular Design, 2003, v:17, n:5-6, pp:291-297 [Journal]
  4. Gilles Klopman, Dan Fercu
    Application of the Multple Computer Automated Structure Evaluation Methodology to a Qantitative Structure-Activity Relationship Study of Acidity. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1994, v:15, n:9, pp:1041-1050 [Journal]
  5. Gilles Klopman
    The MultiCASE Program II. Baseline Activity Identification Algorithm (BAIA). [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1998, v:38, n:1, pp:78-81 [Journal]
  6. Gilles Klopman, Suman K. Chakravarti, Hao Zhu, Julian M. Ivanov, Roustem D. Saiakhov
    ESP: A Method To Predict Toxicity and Pharmacological Properties of Chemicals Using Multiple MCASE Databases. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:2, pp:704-715 [Journal]
  7. Gilles Klopman, Congmei Ding, Orest T. Macina
    Computer Aided Olive Oil-Gas Partition Coefficient Calculations. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1997, v:37, n:3, pp:569-575 [Journal]
  8. Gilles Klopman, Mario Dimayuga, Joseph Talafous
    META. 1. A Program for the Evaluation of Metabolic Transformation of Chemicals. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1994, v:34, n:6, pp:1320-1325 [Journal]
  9. Gilles Klopman, Ju-Yun Li, Shaomeng Wang, Mario Dimayuga
    Computer Automated log P Calculations Based on an Extended Group Contribution Approach. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1994, v:34, n:4, pp:752-781 [Journal]
  10. Gilles Klopman, M. McGonigal
    Computer simulation of physical-chemical properties of organic molecules. 1. Molecular system identification. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1981, v:21, n:1, pp:48-52 [Journal]
  11. Gilles Klopman, Chandan Raychaudhury
    Vertex indexes of molecular graphs in structure-activity relationships: a study of the convulsant-anticonvulsant activity of barbiturates and the carcinogenicity of unsubstituted polycyclic aromatic hydrocarbons. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1990, v:30, n:1, pp:12-19 [Journal]
  12. Gilles Klopman, Meihua Tu, Joseph Talafous
    META, 3. A Genetic Algorithm for Metabolic Transform Priorities Optimization. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1997, v:37, n:2, pp:329-334 [Journal]
  13. Gilles Klopman, Shaomeng Wang, D. M. Balthasar
    Estimation of aqueous solubility of organic molecules by the group contribution approach. Application to the study of biodegradation. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1992, v:32, n:5, pp:474-482 [Journal]
  14. Gilles Klopman, Hao Zhu
    Estimation of the Aqueous Solubility of Organic Molecules by the Group Contribution Approach. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:2, pp:439-445 [Journal]
  15. Gilles Klopman, Hao Zhu
    Estimation of the Aqueous Solubility of Organic Molecules by the Group Contribution Approach, J. Chem. Inf. Comput. Sci. 41, 439-455 (2001). [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:4, pp:1096-1097 [Journal]
  16. 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]
  17. Joseph Talafous, Lawrence M. Sayre, John J. Mieyal, Gilles Klopman
    META. 2. A Dictionary Model of Mammalian Xenobiotic Metabolism. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1994, v:34, n:6, pp:1326-1333 [Journal]
  18. Shaomeng Wang, George W. A. Milne, Gilles Klopman
    Graph Theory and Group Contributions in the Estimation of Boiling Points. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1994, v:34, n:6, pp:1242-1250 [Journal]

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