Computer-Based Prediction Models in Regulatory Toxicology

[1]  David A. Winkler,et al.  Beware of R2: Simple, Unambiguous Assessment of the Prediction Accuracy of QSAR and QSPR Models , 2015, J. Chem. Inf. Model..

[2]  J Kaldor,et al.  An evaluation of Salmonella (Ames) test data in the published literature: application of statistical procedures and analysis of mutagenic potency. , 1984, Mutation research.

[3]  U. Tillmann,et al.  A systematic approach for evaluating the quality of experimental toxicological and ecotoxicological data. , 1997, Regulatory toxicology and pharmacology : RTP.

[4]  Alan G E Wilson New Horizons in Predictive Toxicology: Current Status and Application , 2011 .

[5]  Scott Boyer,et al.  CHEMOINFORMATICS AND BEYOND , 2013 .

[6]  Scott Boyer,et al.  Use of in silico systems and expert knowledge for structure-based assessment of potentially mutagenic impurities. , 2013, Regulatory toxicology and pharmacology : RTP.

[7]  Tudor I. Oprea,et al.  Chemoinformatics in drug discovery , 2005 .

[8]  Thomas Steger-Hartmann,et al.  Use of computer-assisted prediction of toxic effects of chemical substances. , 2006, Toxicology.

[9]  Igor V. Tetko,et al.  ToxAlerts: A Web Server of Structural Alerts for Toxic Chemicals and Compounds with Potential Adverse Reactions , 2012, J. Chem. Inf. Model..

[10]  Andrew Teasdale,et al.  Genotoxic Impurities: Strategies for Identification and Control , 2011 .

[11]  P Smith,et al.  Concordance of the toxicity of pharmaceuticals in humans and in animals. , 2000, Regulatory toxicology and pharmacology : RTP.

[12]  Alexander Tropsha,et al.  Best Practices for QSAR Model Development, Validation, and Exploitation , 2010, Molecular informatics.

[13]  Susanne Glowienke,et al.  Use of Structure Activity Relationship (SAR) Evaluation as a Critical Tool in the Evaluation of the Genotoxic Potential of Impurities , 2011 .

[14]  Alexander Golbraikh,et al.  Application of predictive QSAR models to database mining: identification and experimental validation of novel anticonvulsant compounds. , 2004, Journal of medicinal chemistry.