Gilles Klopman

According to our database, Gilles Klopman authored at least 21 papers between 1981 and 2012.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2012

Optimizing Predictive Performance of CASE Ultra Expert System Models Using the Applicability Domains of Individual Toxicity Alerts.

Suman K. Chakravarti, Roustem D. Saiakhov, Gilles Klopman

J. Chem. Inf. Model., 2012

2010

Benchmark Performance of MultiCASE Inc. Software in Ames Mutagenicity Set.

Roustem D. Saiakhov, Gilles Klopman

J. Chem. Inf. Model., 2010

2006

A Structural Analogue Approach to the Prediction of the Octanol-Water Partition Coefficient.

Aleksandr Y. Sedykh, Gilles Klopman

J. Chem. Inf. Model., 2006

2004

ESP: A Method To Predict Toxicity and Pharmacological Properties of Chemicals Using Multiple MCASE Databases.

Gilles Klopman, Suman K. Chakravarti, Hao Zhu, Julian M. Ivanov, Roustem D. Saiakhov

J. Chem. Inf. Model., 2004

2003

MCASE study of the multidrug resistance reversal activity of propafenone analogs.

Gilles Klopman, Hao Zhu, Gerhard F. Ecker, Peter Chiba

J. Comput. Aided Mol. Des., 2003

2001

Estimation of the Aqueous Solubility of Organic Molecules by the Group Contribution Approach, J. Chem. Inf. Comput. Sci. 41, 439-455 (2001).

Gilles Klopman, Hao Zhu

J. Chem. Inf. Comput. Sci., 2001

Estimation of the Aqueous Solubility of Organic Molecules by the Group Contribution Approach.

Gilles Klopman, Hao Zhu

J. Chem. Inf. Comput. Sci., 2001

1998

The MultiCASE Program II. Baseline Activity Identification Algorithm (BAIA).

Gilles Klopman

J. Chem. Inf. Comput. Sci., 1998

1997

META, 3. A Genetic Algorithm for Metabolic Transform Priorities Optimization.

Gilles Klopman, Meihua Tu, Joseph Talafous

J. Chem. Inf. Comput. Sci., 1997

Computer Aided Olive Oil-Gas Partition Coefficient Calculations.

Gilles Klopman, Congmei Ding, Orest T. Macina

J. Chem. Inf. Comput. Sci., 1997

1995

Quantitative structure-agonist activity relationship of capsaicin analogues.

Gilles Klopman, Ju-Yun Li

J. Comput. Aided Mol. Des., 1995

1994

Graph Theory and Group Contributions in the Estimation of Boiling Points.

Shaomeng Wang, George W. A. Milne, Gilles Klopman

J. Chem. Inf. Comput. Sci., 1994

META. 2. A Dictionary Model of Mammalian Xenobiotic Metabolism.

Joseph Talafous, Lawrence M. Sayre, John J. Mieyal, Gilles Klopman

J. Chem. Inf. Comput. Sci., 1994

Computer Automated log P Calculations Based on an Extended Group Contribution Approach.

Gilles Klopman, Ju-Yun Li, Shaomeng Wang, Mario Dimayuga

J. Chem. Inf. Comput. Sci., 1994

META. 1. A Program for the Evaluation of Metabolic Transformation of Chemicals.

Gilles Klopman, Mario Dimayuga, Joseph Talafous

J. Chem. Inf. Comput. Sci., 1994

Application of the Multple Computer Automated Structure Evaluation Methodology to a Qantitative Structure-Activity Relationship Study of Acidity.

Gilles Klopman, Dan Fercu

J. Comput. Chem., 1994

1993

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.

Gilles Klopman, Dmitri Ptchelintsev

J. Comput. Aided Mol. Des., 1993

1992

Estimation of aqueous solubility of organic molecules by the group contribution approach. Application to the study of biodegradation.

Gilles Klopman, Shaomeng Wang, D. M. Balthasar

J. Chem. Inf. Comput. Sci., 1992

1990

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.

Gilles Klopman, Chandan Raychaudhury

J. Chem. Inf. Comput. Sci., 1990

Computer Automated Structure Evaluation (CASE) of the teratogenicity of retinoids with the aid of a novel geometry index.

Gilles Klopman, Mario Dimayuga

J. Comput. Aided Mol. Des., 1990

1981

Computer simulation of physical-chemical properties of organic molecules. 1. Molecular system identification.

Gilles Klopman, M. McGonigal

J. Chem. Inf. Comput. Sci., 1981