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Regulatory Toxicology and Pharmacology : RTP|November 19, 2003
Predicting the carcinogenic potential of pharmaceuticals in rodents using molecular structural similarity and E-state indicesJoseph F Contrera, Edwin J Matthews, R Daniel BenzComputational Toxicology (Amsterdam, Netherlands)|June 21, 2019
Unlocking the potential of in silico chemical safety assessment - A report on a cross-sector symposium on current opportunities and future challengesMark T D Cronin, Judith C Madden, Chihae Yang, et al.Methods in Molecular Biology (Clifton, N.J.)|June 18, 2016
The Consultancy Activity on In Silico Models for Genotoxic Prediction of Pharmaceutical ImpuritiesManuela Pavan, Simona Kovarich, Arianna Bassan, et al.Journal of Medicinal Chemistry|November 13, 2004
Building predictive models for protein tyrosine phosphatase 1B inhibitors based on discriminating structural features by reassembling medicinal chemistry building blocksChihae Yang, Kevin Cross, Glenn J Myatt, et al.Food and Chemical Toxicology : an International Journal Published for the British Industrial Biological Research Association|July 9, 2020
A new paradigm in threshold of toxicological concern based on chemoinformatics analysis of a highly curated database enriched with antimicrobialsChihae Yang, Mitchell Cheeseman, James Rathman, et al.Chemical Research in Toxicology|December 9, 2020
Do Similar Structures Have Similar No Observed Adverse Effect Level (NOAEL) Values? Exploring Chemoinformatics Approaches for Estimating NOAEL Bounds and UncertaintiesChihae Yang, James F Rathman, Tomasz Magdziarz, et al.Regulatory Toxicology and Pharmacology : RTP|January 9, 2007
A comprehensive model for reproductive and developmental toxicity hazard identification: I. Development of a weight of evidence QSAR databaseEdwin J Matthews, Naomi L Kruhlak, R Daniel Benz, et al.Regulatory Toxicology and Pharmacology : RTP|November 18, 2004
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 doseJoseph F Contrera, Edwin J Matthews, Naomi L Kruhlak, et al.Regulatory Toxicology and Pharmacology : RTP|October 26, 2005
In silico screening of chemicals for bacterial mutagenicity using electrotopological E-state indices and MDL QSAR softwareJoseph F Contrera, Edwin J Matthews, Naomi L Kruhlak, et al.Toxicology Mechanisms and Methods|December 22, 2009
In Silico Screening of Chemicals for Genetic Toxicity Using MDL-QSAR, Nonparametric Discriminant Analysis, E-State, Connectivity, and Molecular Property DescriptorsJoseph F Contrera, Edwin J Matthews, Naomi L Kruhlak, et al.Pageof 7