Publications by authors named "Joseph F Contrera"

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Validation of Toxtree and SciQSAR in silico predictive software using a publicly available benchmark mutagenicity database and their applicability for the qualification of impurities in pharmaceuticals.
Joseph F Contrera

Regul Toxicol Pharmacol· November 2013

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Use of in silico systems and expert knowledge for structure-based assessment of potentially mutagenic impurities.
Andreas Sutter, Alexander Amberg, Scott Boyer, Alessandro Brigo, Joseph F Contrera

Regul Toxicol Pharmacol· October 2013

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Foreword.
Joseph F Contrera

Toxicol Mech Methods· October 2012

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Combined Use of MC4PC, MDL-QSAR, BioEpisteme, Leadscope PDM, and Derek for Windows Software to Achieve High-Performance, High-Confidence, Mode of Action-Based Predictions of Chemical Carcinogenesis in Rodents.
Edwin J Matthews, Naomi L Kruhlak, R Daniel Benz, Joseph F Contrera, Carol A Marchant

Toxicol Mech Methods· October 2012

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In Silico Screening of Chemicals for Genetic Toxicity Using MDL-QSAR, Nonparametric Discriminant Analysis, E-State, Connectivity, and Molecular Property Descriptors.
Joseph F Contrera, Edwin J Matthews, Naomi L Kruhlak, R Daniel Benz

Toxicol Mech Methods· October 2012

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Development of a phospholipidosis database and predictive quantitative structure-activity relationship (QSAR) models.
Naomi L Kruhlak, Sydney S Choi, Joseph F Contrera, James L Weaver, James M Willard

Toxicol Mech Methods· October 2012

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Improved in silico prediction of carcinogenic potency (TD50) and the risk specific dose (RSD) adjusted Threshold of Toxicological Concern (TTC) for genotoxic chemicals and pharmaceutical impurities.
Joseph F Contrera

Regul Toxicol Pharmacol· February 2011

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Identification of structure-activity relationships for adverse effects of pharmaceuticals in humans. Part A: use of FDA post-market reports to create a database of hepatobiliary and urinary tract toxicities.
Carling J Ursem, Naomi L Kruhlak, Joseph F Contrera, Philip M MacLaughlin, R Daniel Benz

Regul Toxicol Pharmacol· June 2009

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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.
Edwin J Matthews, Carling J Ursem, Naomi L Kruhlak, R Daniel Benz, David Aragonés Sabaté, Joseph F Contrera

Regul Toxicol Pharmacol· June 2009

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Identification of structure-activity relationships for adverse effects of pharmaceuticals in humans: Part C: use of QSAR and an expert system for the estimation of the mechanism of action of drug-induced hepatobiliary and urinary tract toxicities.
Edwin J Matthews, Naomi L Kruhlak, R Daniel Benz, David Aragonés Sabaté, Carol A Marchant, Joseph F Contrera

Regul Toxicol Pharmacol· June 2009

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Comparison of MC4PC and MDL-QSAR rodent carcinogenicity predictions and the enhancement of predictive performance by combining QSAR models.
Joseph F Contrera, Naomi L Kruhlak, Edwin J Matthews, R Daniel Benz

Regul Toxicol Pharmacol· December 2007

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Prediction of rodent carcinogenic potential of naturally occurring chemicals in the human diet using high-throughput QSAR predictive modeling.
Luis G Valerio, Kirk B Arvidson, Ronald F Chanderbhan, Joseph F Contrera

Toxicol Appl Pharmacol· July 2007

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A comprehensive model for reproductive and developmental toxicity hazard identification: II. Construction of QSAR models to predict activities of untested chemicals.
Edwin J Matthews, Naomi L Kruhlak, R Daniel Benz, Julian Ivanov, Gilles Klopman, Joseph F Contrera

Regul Toxicol Pharmacol· March 2007

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Genetic toxicity assessment: employing the best science for human safety evaluation. Part I: Early screening for potential human mutagens.
David Jacobson-Kram, Joseph F Contrera

Toxicol Sci· March 2007

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A comprehensive model for reproductive and developmental toxicity hazard identification: I. Development of a weight of evidence QSAR database.
Edwin J Matthews, Naomi L Kruhlak, R Daniel Benz, Joseph F Contrera

Regul Toxicol Pharmacol· March 2007

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In silico approaches to explore toxicity end points: issues and concerns for estimating human health effects.
Edwin J Matthews, Joseph F Contrera

Expert Opin Drug Metab Toxicol· February 2007

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Progress in QSAR toxicity screening of pharmaceutical impurities and other FDA regulated products.
Naomi L Kruhlak, Joseph F Contrera, R Daniel Benz, Edwin J Matthews

Adv Drug Deliv Rev· January 2007

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An analysis of genetic toxicity, reproductive and developmental toxicity, and carcinogenicity data: II. Identification of genotoxicants, reprotoxicants, and carcinogens using in silico methods.
Edwin J Matthews, Naomi L Kruhlak, Michael C Cimino, R Daniel Benz, Joseph F Contrera

Regul Toxicol Pharmacol· March 2006

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An analysis of genetic toxicity, reproductive and developmental toxicity, and carcinogenicity data: I. Identification of carcinogens using surrogate endpoints.
Edwin J Matthews, Naomi L Kruhlak, Michael C Cimino, R Daniel Benz, Joseph F Contrera

Regul Toxicol Pharmacol· March 2006

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I
In silico screening of chemicals for bacterial mutagenicity using electrotopological E-state indices and MDL QSAR software.
Joseph F Contrera, Edwin J Matthews, Naomi L Kruhlak, R Daniel Benz

Regul Toxicol Pharmacol· December 2005

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QSAR modeling of carcinogenic risk using discriminant analysis and topological molecular descriptors.
Joseph F Contrera, Philip Maclaughlin, Lowell H Hall, Lemont B Kier

Curr Drug Discov Technol· June 2005

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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.
Joseph F Contrera, Edwin J Matthews, Naomi L Kruhlak, R Daniel Benz

Regul Toxicol Pharmacol· December 2004

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Assessment of the health effects of chemicals in humans: II. Construction of an adverse effects database for QSAR modeling.
Edwin J Matthews, Naomi L Kruhlak, James L Weaver, R Daniel Benz, Joseph F Contrera

Curr Drug Discov Technol· December 2004

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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.
Edwin J Matthews, Naomi L Kruhlak, R Daniel Benz, Joseph F Contrera

Curr Drug Discov Technol· January 2004

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Predicting the carcinogenic potential of pharmaceuticals in rodents using molecular structural similarity and E-state indices.
Joseph F Contrera, Edwin J Matthews, R Daniel Benz

Regul Toxicol Pharmacol· December 2003

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