Gilles Klopman
Affiliations: | Chemistry | Case Western Reserve University, Cleveland Heights, OH, United States |
Area:
Structure-Activity Studies of Biologically Active MoleculesWebsite:
http://www.case.edu/artsci/chem/faculty/klopman/Google:
"Gilles Klopman"Parents
Sign in to add mentor| Ilya Prigogine | grad student | 1960 | Free University of Brussels |
| Michael J. S. Dewar | post-doc | 1965 | UT Austin |
Children
Sign in to add trainee| Shaomeng Wang | grad student | 1986-1992 | University of Michigan |
| Joseph Talafous | grad student | 1990-1994 | NIH |
| Hao Zhu | grad student | 2002 | Case Western |
| Aleksandr Y. Sedykh | grad student | 2003 | Case Western |
| Liliana R. Stefan | grad student | 2003 | Case Western |
| Scott E. Stuart | grad student | 2004 | Case Western |
| Renato Contreras | post-doc | 1983-1984 | Case Western |
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Publications
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| Saiakhov R, Chakravarti S, Klopman G. (2013) Effectiveness of CASE Ultra Expert System in Evaluating Adverse Effects of Drugs. Molecular Informatics. 32: 87-97 |
| Chakravarti SK, Saiakhov RD, Klopman G. (2012) Optimizing predictive performance of CASE Ultra expert system models using the applicability domains of individual toxicity alerts. Journal of Chemical Information and Modeling. 52: 2609-18 |
| Matthews EJ, Ursem CJ, Kruhlak NL, et al. (2009) Identification of structure-activity relationships for adverse effects of pharmaceuticals in humans: Part B. Use of (Q)SAR systems for early detection of drug-induced hepatobiliary and urinary tract toxicities. Regulatory Toxicology and Pharmacology : Rtp. 54: 23-42 |
| Chakravarti SK, Klopman G. (2008) A structural analysis of the differential cytotoxicity of chemicals in the NCI-60 cancer cell lines. Bioorganic & Medicinal Chemistry. 16: 4052-63 |
| Sedykh A, Klopman G. (2007) Data analysis and alternative modelling of MITI-I aerobic biodegradation. Sar and Qsar in Environmental Research. 18: 693-709 |
| Matthews EJ, Kruhlak NL, Daniel Benz R, et al. (2007) A comprehensive model for reproductive and developmental toxicity hazard identification: II. Construction of QSAR models to predict activities of untested chemicals. Regulatory Toxicology and Pharmacology : Rtp. 47: 136-55 |
| Sedykh AY, Klopman G. (2006) A structural analogue approach to the prediction of the octanol-water partition coefficient. Journal of Chemical Information and Modeling. 46: 1598-603 |
| Netzeva TI, Worth A, Aldenberg T, et al. (2005) Current status of methods for defining the applicability domain of (quantitative) structure-activity relationships. The report and recommendations of ECVAM Workshop 52. Alternatives to Laboratory Animals : Atla. 33: 155-73 |
| Klopman G, Zhu H. (2005) Recent methodologies for the estimation of n-octanol/water partition coefficients and their use in the prediction of membrane transport properties of drugs. Mini Reviews in Medicinal Chemistry. 5: 127-33 |
| Zhu H, Sedykh A, Chakravarti S, et al. (2005) A New Group Contribution Approach to the Calculation of LogP Current Computer Aided-Drug Design. 1: 3-9 |