Gilles Klopman

Publication Activity (10 Years)

Years Active: 1981-2012
Publications (10 Years): 0

Top Topics

Predictive Model

Historical Data

Complex Systems

Top Venues

J. Chem. Inf. Model.

Publications

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) (2012)
Roustem D. Saiakhov, Gilles Klopman
Benchmark Performance of MultiCASE Inc. Software in Ames Mutagenicity Set. J. Chem. Inf. Model. 50 (9) (2010)
Aleksandr Y. Sedykh, Gilles Klopman
A Structural Analogue Approach to the Prediction of the Octanol-Water Partition Coefficient. J. Chem. Inf. Model. 46 (4) (2006)
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) (2004)
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) (2003)
Gilles Klopman, Hao Zhu
Estimation of the Aqueous Solubility of Organic Molecules by the Group Contribution Approach. J. Chem. Inf. Comput. Sci. 41 (2) (2001)
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) (2001)
Gilles Klopman
The MultiCASE Program II. Baseline Activity Identification Algorithm (BAIA). J. Chem. Inf. Comput. Sci. 38 (1) (1998)
Gilles Klopman, Congmei Ding, Orest T. Macina
Computer Aided Olive Oil-Gas Partition Coefficient Calculations. J. Chem. Inf. Comput. Sci. 37 (3) (1997)
Gilles Klopman, Meihua Tu, Joseph Talafous
META, 3. A Genetic Algorithm for Metabolic Transform Priorities Optimization. J. Chem. Inf. Comput. Sci. 37 (2) (1997)
Gilles Klopman, Ju-Yun Li
Quantitative structure-agonist activity relationship of capsaicin analogues. J. Comput. Aided Mol. Des. 9 (3) (1995)
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) (1994)
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) (1994)
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) (1994)
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) (1994)
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) (1994)
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) (1993)
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) (1992)
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) (1990)
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) (1990)
Gilles Klopman, M. McGonigal
Computer simulation of physical-chemical properties of organic molecules. 1. Molecular system identification. J. Chem. Inf. Comput. Sci. 21 (1) (1981)