Exploring In Vitro/In Vivo Correlation: Lessons Learned from Analyzing Phase I Results of the US EPA's ToxCast Project

REFERENCES

• Schmidt , C . 2009 . Testing for carcinogens: Shift from animals to automation gathers steam—slowly . J Natl Cancer Inst , 101 : 910 – 912 .
   PubMed Web of Science ®Google Scholar
• Pedersen , F , de Brujin , J , Munn , S J and Van Leeuwen , K . 2003 . Assessment of additional testing needs under REACH. Effects of (Q)SARs, risk based testing and voluntary industry initiatives . JRC report EUR 20863 EN , Ispra, EUR
   Google Scholar
• Worth , A P , Bassan , A , de Brujin , J , Gallegos Saliner , A , Netzeva , T I Pavan , M . 2007 . The role of the European Chemicals Bureau in promoting the regulatory use of (Q)SAR methods . SAR QSAR Environ Res , 18 : 111 – 125 .
   PubMed Web of Science ®Google Scholar
• European Food Safety Authority . 2009 . Existing approaches incorporating replacement, reduction and refinement of animal testing: Applicability in food and feed risk assessment . EFSA J , 1052 : 1 – 57 .
   Google Scholar
• van Regenmortel , M HV . 2007 . The rational design of biological complexity: A deceptive metaphor . Proteomics , 7 : 965 – 975 .
   PubMed Web of Science ®Google Scholar
• van Regenmortel , M HV . 2004 . Reductionism and complexity in molecular biology . EMBO Rep , 5 : 1016 – 1020 .
   PubMed Web of Science ®Google Scholar
• Hopkins , A L . 2008 . Network pharmacology: The next paradigm in drug discovery . Nature Chem Biol , 4 : 682 – 690 .
   PubMed Web of Science ®Google Scholar
• MacDonald , J S and Robertson , R T . 2009 . Toxicity testing in the 21st century: A view from the pharmaceutical industry . Toxicol Sci , 110 : 40 – 46 .
   PubMed Web of Science ®Google Scholar
• Dix , D J , Houck , K A , Martin , M T , Richard , A M , Setzer , M W and Kavlock , R J . 2007 . The ToxCast program for prioritizing toxicity testing of environmental chemicals . Toxicol Sci , 95 : 5 – 12 .
   PubMed Web of Science ®Google Scholar
• Kavlock , R , Austin , C P and Tice , R R . 2009 . Toxicity testing in the 21st century: Implications for human health risk assessment . Risk Anal , 29 : 485 – 487 .
   PubMed Web of Science ®Google Scholar
• Judson , R S , Houck , K A , Kavlock , R J , Knudsen , T B , Martin , M T Mortensen , H M . 2010 . In vitro screening of environmental chemicals for targeted testing prioritization—The ToxCast Project . Environ Health Perspect , 218 : 485 – 492 .
   Google Scholar
• Benigni , R and Giuliani , A . 1994 . Quantitative modeling and biology: The multivariate approach . Am J Physiol , 266 : R1697 – R1704 .
   PubMed Web of Science ®Google Scholar
• Tomatis , L , Huff , J , Hertz-Picciotto , I , Sandler , D P , Bucher , J Boffetta , P . 1997 . Avoided and avoidable risks of cancer . Carcinogenesis , 18 : 97 – 105 .
   PubMed Web of Science ®Google Scholar
• Benigni , R , Bossa , C , Richard , A M and Yang , C . 2008 . A novel approach: Chemical relational databases, and the role of the ISSCAN database on assessing chemical carcinogenicity . Ann Ist Super Sanità , 44 : 48 – 56 .
   PubMed Web of Science ®Google Scholar
• Benigni , R and Bossa , C . 2008 . Structure alerts for carcinogenicity, and the Salmonella assay system: A novel insight through the chemical relational databases technology . Mutat Res Revs , 659 : 248 – 261 .
   PubMed Web of Science ®Google Scholar
• Benigni , R , Bossa , C , Jeliazkova , N G , Netzeva , T I and Worth , A P . 2008 . The Benigni/Bossa rulebase for mutagenicity and carcinogenicity—A module of Toxtree . EUR 23241 EN , Luxenbourg, Office for the Official Publications of the European Communities. EUR—Scientific and Technical Report Series
   Google Scholar
• Hawkins , D M . 2004 . The problem of overfitting . J Chem Inf Comput Sci , 44 : 1 – 12 .
   PubMedGoogle Scholar
• Topliss , J G and Edwards , R P . 1979 . Chance factors in studies of quantitative structure-activity relationships . J Med Chem , 22 : 1238 – 1244 .
   PubMed Web of Science ®Google Scholar
• Evans , E A and Calderwood , D A . 2007 . Forces and bond dynamics in cell adhesion . Science , 316 : 1143 – 1153 .
   Web of Science ®Google Scholar
• Young , D . 2009 . Drug innovation on the decline . Am J Health Syst Pharm , 64 : 228 – 231 .
   Web of Science ®Google Scholar
• Zeiger , E . 1998 . Identification of rodent carcinogens and noncarcinogens using genetic toxicity tests: Premises, promises, and performance . Regulat Pharmacol Toxicol , 28 : 85 – 95 .
   PubMed Web of Science ®Google Scholar
• Benigni , R , Bossa , C , Tcheremenskaia , O and Giuliani , A . 2010 . Alternatives to the carcinogenicity bioassay: In silico methods, and the in vitro and in vivo mutagenicity assays . Exp Opin Drug Metab Toxicol , 6 : 1 – 11 .
   PubMed Web of Science ®Google Scholar
• Organization for Economic Co-operation and Development . 2007 . “ Detailed review paper on cell transformation assays for detection of chemical carcinogens. OECD Series on Testing and Assessment ” . Paris : OECD .
   Google Scholar
• Benigni , R , Netzeva , T I , Benfenati , E , Bossa , C , Franke , R Helma , C . 2007 . The expanding role of predictive toxicology: An update on the (Q)SAR models for mutagens and carcinogens . J Environ Sci Health C Environ Carcinog Ecotoxicol Revs , 25 : 53 – 97 .
   PubMed Web of Science ®Google Scholar