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ORCIDGilles Klopman
Person information
- affiliation: Case Western Reserve University, Cleveland, OH, USA
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2010 – 2019
- 2012
[j21]Suman K. Chakravarti, Roustem D. Saiakhov, Gilles Klopman:
Optimizing Predictive Performance of CASE Ultra Expert System Models Using the Applicability Domains of Individual Toxicity Alerts. J. Chem. Inf. Model. 52(10): 2609-2618 (2012)- 2010
- [j20]Roustem D. Saiakhov, Gilles Klopman:
Benchmark Performance of MultiCASE Inc. Software in Ames Mutagenicity Set. J. Chem. Inf. Model. 50(9): 1521 (2010)
2000 – 2009
- 2006
- [j19]Aleksandr Y. Sedykh, Gilles Klopman:
A Structural Analogue Approach to the Prediction of the Octanol-Water Partition Coefficient. J. Chem. Inf. Model. 46(4): 1598-1603 (2006) - 2004
- [j18]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. J. Chem. Inf. Model. 44(2): 704-715 (2004) - 2003
- [j17]Gilles Klopman, Hao Zhu, Gerhard F. Ecker, Peter Chiba:
MCASE study of the multidrug resistance reversal activity of propafenone analogs. J. Comput. Aided Mol. Des. 17(5-6): 291-297 (2003) - 2001
- [j16]Gilles Klopman, Hao Zhu:
Estimation of the Aqueous Solubility of Organic Molecules by the Group Contribution Approach. J. Chem. Inf. Comput. Sci. 41(2): 439-445 (2001) - [j15]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). J. Chem. Inf. Comput. Sci. 41(4): 1096-1097 (2001)
1990 – 1999
- 1998
- [j14]Gilles Klopman:
The MultiCASE Program II. Baseline Activity Identification Algorithm (BAIA). J. Chem. Inf. Comput. Sci. 38(1): 78-81 (1998) - 1997
- [j13]Gilles Klopman, Meihua Tu, Joseph Talafous:
META, 3. A Genetic Algorithm for Metabolic Transform Priorities Optimization. J. Chem. Inf. Comput. Sci. 37(2): 329-334 (1997) - [j12]Gilles Klopman, Congmei Ding, Orest T. Macina:
Computer Aided Olive Oil-Gas Partition Coefficient Calculations. J. Chem. Inf. Comput. Sci. 37(3): 569-575 (1997) - 1995
- [j11]Gilles Klopman, Ju-Yun Li:
Quantitative structure-agonist activity relationship of capsaicin analogues. J. Comput. Aided Mol. Des. 9(3): 283-294 (1995) - 1994
- [j10]Gilles Klopman, Dan Fercu:
Application of the Multple Computer Automated Structure Evaluation Methodology to a Qantitative Structure-Activity Relationship Study of Acidity. J. Comput. Chem. 15(9): 1041-1050 (1994) - [j9]Gilles Klopman, Ju-Yun Li, Shaomeng Wang, Mario Dimayuga:
Computer Automated log P Calculations Based on an Extended Group Contribution Approach. J. Chem. Inf. Comput. Sci. 34(4): 752-781 (1994) - [j8]Shaomeng Wang, George W. A. Milne, Gilles Klopman:
Graph Theory and Group Contributions in the Estimation of Boiling Points. J. Chem. Inf. Comput. Sci. 34(6): 1242-1250 (1994) - [j7]Gilles Klopman, Mario Dimayuga, Joseph Talafous:
META. 1. A Program for the Evaluation of Metabolic Transformation of Chemicals. J. Chem. Inf. Comput. Sci. 34(6): 1320-1325 (1994) - [j6]Joseph Talafous, Lawrence M. Sayre, John J. Mieyal, Gilles Klopman:
META. 2. A Dictionary Model of Mammalian Xenobiotic Metabolism. J. Chem. Inf. Comput. Sci. 34(6): 1326-1333 (1994) - 1993
- [j5]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. J. Comput. Aided Mol. Des. 7(3): 349-362 (1993) - 1992
- [j4]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. J. Chem. Inf. Comput. Sci. 32(5): 474-482 (1992) - 1990
- [j3]Gilles Klopman, Mario Dimayuga:
Computer Automated Structure Evaluation (CASE) of the teratogenicity of retinoids with the aid of a novel geometry index. J. Comput. Aided Mol. Des. 4(2): 117-130 (1990) - [j2]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. J. Chem. Inf. Comput. Sci. 30(1): 12-19 (1990)
1980 – 1989
- 1981
- [j1]Gilles Klopman, M. McGonigal:
Computer simulation of physical-chemical properties of organic molecules. 1. Molecular system identification. J. Chem. Inf. Comput. Sci. 21(1): 48-52 (1981)
Coauthor Index
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