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Gilles Klopman

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2006
18EEAleksandr Y. Sedykh, Gilles Klopman: A Structural Analogue Approach to the Prediction of the Octanol-Water Partition Coefficient. Journal of Chemical Information and Modeling 46(4): 1598-1603 (2006)
2004
17EEGilles 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. Journal of Chemical Information and Modeling 44(2): 704-715 (2004)
2003
16 Gilles Klopman, Hao Zhu, Gerhard F. Ecker, Peter Chiba: MCASE study of the multidrug resistance reversal activity of propafenone analogs. Journal of Computer-Aided Molecular Design 17(5-6): 291-297 (2003)
2001
15EEGilles Klopman, Hao Zhu: Estimation of the Aqueous Solubility of Organic Molecules by the Group Contribution Approach. Journal of Chemical Information and Computer Sciences 41(2): 439-445 (2001)
14EEGilles 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). Journal of Chemical Information and Computer Sciences 41(4): 1096-1097 (2001)
1998
13EEGilles Klopman: The MultiCASE Program II. Baseline Activity Identification Algorithm (BAIA). Journal of Chemical Information and Computer Sciences 38(1): 78-81 (1998)
1997
12EEGilles Klopman, Meihua Tu, Joseph Talafous: META, 3. A Genetic Algorithm for Metabolic Transform Priorities Optimization. Journal of Chemical Information and Computer Sciences 37(2): 329-334 (1997)
11EEGilles Klopman, Congmei Ding, Orest T. Macina: Computer Aided Olive Oil-Gas Partition Coefficient Calculations. Journal of Chemical Information and Computer Sciences 37(3): 569-575 (1997)
1995
10 Gilles Klopman, Ju-Yun Li: Quantitative structure-agonist activity relationship of capsaicin analogues. Journal of Computer-Aided Molecular Design 9(3): 283-294 (1995)
1994
9EEGilles Klopman, Ju-Yun Li, Shaomeng Wang, Mario Dimayuga: Computer Automated log P Calculations Based on an Extended Group Contribution Approach. Journal of Chemical Information and Computer Sciences 34(4): 752-781 (1994)
8EEShaomeng Wang, George W. A. Milne, Gilles Klopman: Graph Theory and Group Contributions in the Estimation of Boiling Points. Journal of Chemical Information and Computer Sciences 34(6): 1242-1250 (1994)
7EEGilles Klopman, Mario Dimayuga, Joseph Talafous: META. 1. A Program for the Evaluation of Metabolic Transformation of Chemicals. Journal of Chemical Information and Computer Sciences 34(6): 1320-1325 (1994)
6EEJoseph Talafous, Lawrence M. Sayre, John J. Mieyal, Gilles Klopman: META. 2. A Dictionary Model of Mammalian Xenobiotic Metabolism. Journal of Chemical Information and Computer Sciences 34(6): 1326-1333 (1994)
5 Gilles Klopman, Dan Fercu: Application of the Multple Computer Automated Structure Evaluation Methodology to a Qantitative Structure-Activity Relationship Study of Acidity. Journal of Computational Chemistry 15(9): 1041-1050 (1994)
1993
4 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. Journal of Computer-Aided Molecular Design 7(3): 349-362 (1993)
1992
3EEGilles Klopman, Shaomeng Wang, D. M. Balthasar: Estimation of aqueous solubility of organic molecules by the group contribution approach. Application to the study of biodegradation. Journal of Chemical Information and Computer Sciences 32(5): 474-482 (1992)
1990
2EEGilles 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. Journal of Chemical Information and Computer Sciences 30(1): 12-19 (1990)
1981
1EEGilles Klopman, M. McGonigal: Computer simulation of physical-chemical properties of organic molecules. 1. Molecular system identification. Journal of Chemical Information and Computer Sciences 21(1): 48-52 (1981)

Coauthor Index

1D. M. Balthasar [3]
2Suman K. Chakravarti [17]
3Peter Chiba [16]
4Mario Dimayuga [7] [9]
5Congmei Ding [11]
6Gerhard F. Ecker [16]
7Dan Fercu [5]
8Julian M. Ivanov [17]
9Ju-Yun Li [9] [10]
10Orest T. Macina [11]
11M. McGonigal [1]
12John J. Mieyal [6]
13George W. A. Milne [8]
14Dmitri Ptchelintsev [4]
15Chandan Raychaudhury [2]
16Roustem D. Saiakhov [17]
17Lawrence M. Sayre [6]
18Aleksandr Y. Sedykh [18]
19Joseph Talafous [6] [7] [12]
20Meihua Tu [12]
21Shaomeng Wang [3] [8] [9]
22Hao Zhu [14] [15] [16] [17]

Colors in the list of coauthors

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