Progress in QSAR toxicity screening of pharmaceutical impurities and other FDA regulated products.

[1]  N. Kruhlak,et al.  An analysis of genetic toxicity, reproductive and developmental toxicity, and carcinogenicity data: II. Identification of genotoxicants, reprotoxicants, and carcinogens using in silico methods. , 2006, Regulatory toxicology and pharmacology : RTP.

[2]  N. Kruhlak,et al.  An analysis of genetic toxicity, reproductive and developmental toxicity, and carcinogenicity data: I. Identification of carcinogens using surrogate endpoints. , 2006, Regulatory toxicology and pharmacology : RTP.

[3]  N. Kruhlak,et al.  In silico screening of chemicals for bacterial mutagenicity using electrotopological E-state indices and MDL QSAR software. , 2005, Regulatory toxicology and pharmacology : RTP.

[4]  A. Bailey,et al.  The use of structure-activity relationship analysis in the food contact notification program. , 2005, Regulatory toxicology and pharmacology : RTP.

[5]  Joseph F Contrera,et al.  QSAR modeling of carcinogenic risk using discriminant analysis and topological molecular descriptors. , 2005, Current drug discovery technologies.

[6]  Philip Howard,et al.  Practical considerations on the use of predictive models for regulatory purposes. , 2005, Environmental science & technology.

[7]  N. Kruhlak,et al.  Estimating the safe starting dose in phase I clinical trials and no observed effect level based on QSAR modeling of the human maximum recommended daily dose. , 2004, Regulatory toxicology and pharmacology : RTP.

[8]  A. Worth,et al.  The prospects for using (Q)SARs in a changing political environment--high expectations and a key role for the european commission's joint research centre , 2004, SAR and QSAR in environmental research.

[9]  N. Kruhlak,et al.  Assessment of the health effects of chemicals in humans: I. QSAR estimation of the maximum recommended therapeutic dose (MRTD) and no effect level (NOEL) of organic chemicals based on clinical trial data. , 2004, Current drug discovery technologies.

[10]  R. Snyder,et al.  Assessment of the sensitivity of the computational programs DEREK, TOPKAT, and MCASE in the prediction of the genotoxicity of pharmaceutical molecules , 2004, Environmental and molecular mutagenesis.

[11]  J. Contrera,et al.  Predicting the carcinogenic potential of pharmaceuticals in rodents using molecular structural similarity and E-state indices. , 2003, Regulatory toxicology and pharmacology : RTP.

[12]  L. Eriksson,et al.  Methods for reliability and uncertainty assessment and for applicability evaluations of classification- and regression-based QSARs. , 2003, Environmental Health Perspectives.

[13]  J. Jaworska,et al.  Summary of a workshop on regulatory acceptance of (Q)SARs for human health and environmental endpoints. , 2003, Environmental health perspectives.

[14]  Paola Gramatica,et al.  The Importance of Being Earnest: Validation is the Absolute Essential for Successful Application and Interpretation of QSPR Models , 2003 .

[15]  John C. Dearden,et al.  In silico prediction of drug toxicity , 2003, J. Comput. Aided Mol. Des..

[16]  Alan G. E. Wilson,et al.  Role of predictive metabolism and toxicity modeling in drug discovery--a summary of some recent advancements. , 2003, Current opinion in drug discovery & development.

[17]  G M Pearl,et al.  Integration of computational analysis as a sentinel tool in toxicological assessments. , 2001, Current topics in medicinal chemistry.

[18]  L. Hall,et al.  Molecular Structure Description: The Electrotopological State , 1999 .

[19]  J. Contrera,et al.  A new highly specific method for predicting the carcinogenic potential of pharmaceuticals in rodents using enhanced MCASE QSAR-ES software. , 1998, Regulatory toxicology and pharmacology : RTP.

[20]  John M. Barnard,et al.  Chemical Similarity Searching , 1998, J. Chem. Inf. Comput. Sci..

[21]  F. Lombardo,et al.  Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings , 1997 .

[22]  E. Zeiger,et al.  Handbook of Carcinogenic Potency and Genotoxicity Databases , 1996 .

[23]  P. Wagner,et al.  The new chemicals process at the Environmental Protection Agency (EPA): structure-activity relationships for hazard identification and risk assessment. , 1995, Toxicology letters.

[24]  M C Cimino,et al.  Availability of the GENE-TOX database on the National Library of Medicine TOXNET system. , 1993, Environmental and molecular mutagenesis.

[25]  J. Selkirk Compendium of Abstracts from Long-Term Cancer Studies Reported by the National Toxicology Program from 1976 to 1992 , 1993 .

[26]  B. Ames,et al.  The fifth plot of the Carcinogenic Potency Database: results of animal bioassays published in the general literature through 1988 and by the National Toxicology Program through 1989. , 1993, Environmental health perspectives.

[27]  R. Tennant,et al.  Definitive relationships among chemical structure, carcinogenicity and mutagenicity for 301 chemicals tested by the U.S. NTP. , 1991, Mutation research.

[28]  J. Reynolds Martindale: the Extra Pharmacopoeia. 29th edition. , 1989 .