ACD/Labs Licenses Patent Rights for QSDAR from the FDA

Recent Publications

• J. Chem. Inf. Comput. Sci. 2001, 41, 219-224
  (http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/ci0000878)
  "Use of 13C NMR Spectrometric Data To Produce a Predictive Model of Estrogen Receptor Binding Activity"
  Richard D. Beger, James P. Freeman, Jackson O. Lay, Jr., Jon G. Wilkes, and Dwight W. Miller
  Download the article in MS Word format (45 Kb ZIP file).

• J. Chem. Inf. Comput. Sci. 2001, 41, 1322-1329
  (http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/ci000312l)
  "Models of Polychlorinated Dibenzodioxins, Dibenzofurans, and Biphenyls Binding Affinity to the Aryl Hydrocarbon Receptor Developed Using 13C NMR Data"
  Richard D. Beger and Jon G. Wilkes
  Download the article in MS Word format (77 Kb ZIP file).

• J. Chem. Inf. Comput. Sci. 2000, 40, 1449-1455
  (http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/ci000331v)
  "Producing 13C NMR, Infrared Absorption, and Electron Ionization Mass Spectrometric Data Models of the Monodechlorination of Chlorobenzenes, Chlorophenols, and Chloroanilines"
  Richard D. Beger, James P. Freeman, Jackson O. Lay, Jr., Jon G. Wilkes, and Dwight W. Miller
  Download the article in MS Word format (95 Kb ZIP file).

• J. Chem. Inf. Comput. Sci. 2001, 41, 1360-1366
  (http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/ci010285e)
  "13C NMR Quantitative Spectrometric Data-Activity Relationship (QSDAR) Models of Steroids Binding the Aromatase Enzyme"
  Richard D. Beger, Dan A. Buzatu, Jon G. Wilkes, and Jackson O. Lay, Jr.
  Download the article in MS Word format (88 Kb ZIP file).

• Toxicology and Applied Pharmacology 169, 17-25 (2000)
  (http://dx.doi.org/10.1006/taap.2000.9043)
  "13C NMR and Electron Ionization Mass Spectrometric Data-Activity Relationship Model of Estrogen Receptor Binding"
  Richard D. Beger, James P. Freeman, Jackson O. Lay, Jr., Jon G. Wilkes, and Dwight W. Miller
  Download the article in MS Word format (90 Kb ZIP file).

• Journal of Computer-Aided Molecular Design 15(7): 659-669; Jul 2001
  "Developing 13C NMR Quantitative Spectrometric Data-Activity Relationship (QSDAR) Models of Steroid Binding to the Corticosteroid Binding Globulin"
  Richard D. Beger and Jon G. Wilkes
  Download the article in MS Word format (79 Kb ZIP file).