32
Z. Wang and J. Chen
9. Inglese J, Auld DS, Jadhav A, Johnson RL, Simeonov A, Yasgar A, Zheng W, Austin CP (2006)
Quantitative high-throughput screening: a titration-based approach that efficiently identifies
biological activities in large chemical libraries. Proc Natl Acad Sci U S A 103(31):11473–11478
10. Inglese J, Johnson RL, Simeonov A, Xia M, Zheng W, Austin CP, Auld DS (2007) Highthroughput screening assays for the identification of chemical probes. Nat Chem Biol
3(8):466–479
11. Dix DJ, Houck KA, Martin MT, Richard AM, Setzer RW, Kavlock RJ (2007) The ToxCast
program for prioritizing toxicity testing of environmental chemicals. Toxicol Sci 95(1):5–12
12. Attene-Ramos MS, Miller N, Huang R, Michael S, Itkin M, Kavlock RJ, Austin CP, Shinn
P, Simeonov A, Tice RR, Xia M (2013) The Tox21 robotic platform for the assessment of
environmental chemicals—from vision to reality. Drug Discov Today 18(15–16):716–723
13. Zhu H, Zhang J, Kim MT, Boison A, Sedykh A, Moran K (2014) Big data in chemical toxicity
research: the use of high-throughput screening assays to identify potential toxicants. Chem Res
Toxicol 27(10):1643–1651
14. Tice RR, Austin CP, Kavlock RJ, Bucher JR (2013) Improving the human hazard characterization of chemicals: a Tox21 update. Environ Health Perspect 121(7):756–765
15. Judson R, Kavlock R, Martin M, Reif D, Houck K, Knudsen T, Richard A, Tice RR, Whelan
M, Xia M, Huang R, Austin C, Daston G, Hartung T, Fowle JR III, Wooge W, Tong W, Dix D
(2013) Perspectives on validation of high-throughput assays supporting 21st century toxicity
testing. Altex 30(1):51–66
16. Thomas RS, Black MB, Li L, Healy E, Chu T-M, Bao W, Andersen ME, Wolfinger RD (2012)
A comprehensive statistical analysis of predicting in vivo hazard using high-throughput in vitro
screening. Toxicol Sci 128(2):398–417
17. Yoon M, Campbell JL, Andersen ME, Clewell HJ (2012) Quantitative in vitro to in vivo
extrapolation of cell-based toxicity assay results. Crit Rev Toxicol 42(8):633–652
18. Yoon M, Efremenko A, Blaauboer BJ, Clewell HJ (2014) Evaluation of simple in vitro to
in vivo extrapolation approaches for environmental compounds. Toxicol Vitro 28(2):164–170
19. Ankley GT, Bennett RS, Erickson RJ, Hoff DJ, Hornung MW, Johnson RD, Mount DR, Nichols
JW, Russom CL, Schmieder PK, Serrrano JA, Tietge JE, Villeneuve DL (2010) Adverse outcome pathways: a conceptual framework to support ecotoxicology research and risk assessment.
Environ Toxicol Chem 29(3):730–741
20. Wang ZY, Chen JW, Qiao XL, Li XH, Xie HB, Cai XY (2016) Computational toxicology:
oriented for chemicals risk assessment. Scientia Sinica Chimica 46(2):222–240 (in Chinese
with English abstract)
21. Kavlock R, Dix D (2010) Computational toxicology as implemented by the US EPA: providing
high throughput decision support tools for screening and assessment chemical exposure, hazard
and risk. J Toxicol Environ Health-Pt b-Crit Rev 13(2–4):197–217
22. Vermeire T, Aldenberg T, Buist H, Escher S, Mangelsdorf I, Paune E, Rorije E, Kroese D
(2013) OSIRIS, a quest for proof of principle for integrated testing strategies of chemicals for
four human health endpoints. Regul Toxicol Pharmacol 67(2):136–145
23. Daston G, Knight DJ, Schwarz M, Gocht T, Thomas RS, Mahony C, Whelan M (2015) SEURAT: Safety Evaluation Ultimately Replacing Animal Testing—recommendations for future
research in the field of predictive toxicology. Arch Toxicol 89(1):15–23
24. Van Leeuwen CJ, Vermeire TG (2007) Risk assessment of chemicals: an introduction, 2nd edn.
Springer, Dordrecht
25. Cherkasov A, Muratov EN, Fourches D, Varnek A, Baskin II, Cronin M, Dearden J, Gramatica
P, Martin YC, Todeschini R, Consonni V, Kuz’min VE, Cramer R, Benigni R, Yang C, Rathman
J, Terfloth L, Gasteiger J, Richard A, Tropsha A (2014) QSAR modeling: where have you been?
Where are you going to? J Med Chem 57(12):4977–5010
26. Judson RS, Martin MT, Egeghy P, Gangwal S, Reif DM, Kothiya P, Wolf M, Cathey T, Transue
T, Smith D, Vail J, Frame A, Mosher S, Hubal EAC, Richard AM (2012) Aggregating data
for computational toxicology applications: The US Environmental Protection Agency (EPA)
aggregated computational toxicology resource (ACToR) system. Int J Mol Sci 13(2):1805–1831
Z. Wang and J. Chen
9. Inglese J, Auld DS, Jadhav A, Johnson RL, Simeonov A, Yasgar A, Zheng W, Austin CP (2006)
Quantitative high-throughput screening: a titration-based approach that efficiently identifies
biological activities in large chemical libraries. Proc Natl Acad Sci U S A 103(31):11473–11478
10. Inglese J, Johnson RL, Simeonov A, Xia M, Zheng W, Austin CP, Auld DS (2007) Highthroughput screening assays for the identification of chemical probes. Nat Chem Biol
3(8):466–479
11. Dix DJ, Houck KA, Martin MT, Richard AM, Setzer RW, Kavlock RJ (2007) The ToxCast
program for prioritizing toxicity testing of environmental chemicals. Toxicol Sci 95(1):5–12
12. Attene-Ramos MS, Miller N, Huang R, Michael S, Itkin M, Kavlock RJ, Austin CP, Shinn
P, Simeonov A, Tice RR, Xia M (2013) The Tox21 robotic platform for the assessment of
environmental chemicals—from vision to reality. Drug Discov Today 18(15–16):716–723
13. Zhu H, Zhang J, Kim MT, Boison A, Sedykh A, Moran K (2014) Big data in chemical toxicity
research: the use of high-throughput screening assays to identify potential toxicants. Chem Res
Toxicol 27(10):1643–1651
14. Tice RR, Austin CP, Kavlock RJ, Bucher JR (2013) Improving the human hazard characterization of chemicals: a Tox21 update. Environ Health Perspect 121(7):756–765
15. Judson R, Kavlock R, Martin M, Reif D, Houck K, Knudsen T, Richard A, Tice RR, Whelan
M, Xia M, Huang R, Austin C, Daston G, Hartung T, Fowle JR III, Wooge W, Tong W, Dix D
(2013) Perspectives on validation of high-throughput assays supporting 21st century toxicity
testing. Altex 30(1):51–66
16. Thomas RS, Black MB, Li L, Healy E, Chu T-M, Bao W, Andersen ME, Wolfinger RD (2012)
A comprehensive statistical analysis of predicting in vivo hazard using high-throughput in vitro
screening. Toxicol Sci 128(2):398–417
17. Yoon M, Campbell JL, Andersen ME, Clewell HJ (2012) Quantitative in vitro to in vivo
extrapolation of cell-based toxicity assay results. Crit Rev Toxicol 42(8):633–652
18. Yoon M, Efremenko A, Blaauboer BJ, Clewell HJ (2014) Evaluation of simple in vitro to
in vivo extrapolation approaches for environmental compounds. Toxicol Vitro 28(2):164–170
19. Ankley GT, Bennett RS, Erickson RJ, Hoff DJ, Hornung MW, Johnson RD, Mount DR, Nichols
JW, Russom CL, Schmieder PK, Serrrano JA, Tietge JE, Villeneuve DL (2010) Adverse outcome pathways: a conceptual framework to support ecotoxicology research and risk assessment.
Environ Toxicol Chem 29(3):730–741
20. Wang ZY, Chen JW, Qiao XL, Li XH, Xie HB, Cai XY (2016) Computational toxicology:
oriented for chemicals risk assessment. Scientia Sinica Chimica 46(2):222–240 (in Chinese
with English abstract)
21. Kavlock R, Dix D (2010) Computational toxicology as implemented by the US EPA: providing
high throughput decision support tools for screening and assessment chemical exposure, hazard
and risk. J Toxicol Environ Health-Pt b-Crit Rev 13(2–4):197–217
22. Vermeire T, Aldenberg T, Buist H, Escher S, Mangelsdorf I, Paune E, Rorije E, Kroese D
(2013) OSIRIS, a quest for proof of principle for integrated testing strategies of chemicals for
four human health endpoints. Regul Toxicol Pharmacol 67(2):136–145
23. Daston G, Knight DJ, Schwarz M, Gocht T, Thomas RS, Mahony C, Whelan M (2015) SEURAT: Safety Evaluation Ultimately Replacing Animal Testing—recommendations for future
research in the field of predictive toxicology. Arch Toxicol 89(1):15–23
24. Van Leeuwen CJ, Vermeire TG (2007) Risk assessment of chemicals: an introduction, 2nd edn.
Springer, Dordrecht
25. Cherkasov A, Muratov EN, Fourches D, Varnek A, Baskin II, Cronin M, Dearden J, Gramatica
P, Martin YC, Todeschini R, Consonni V, Kuz’min VE, Cramer R, Benigni R, Yang C, Rathman
J, Terfloth L, Gasteiger J, Richard A, Tropsha A (2014) QSAR modeling: where have you been?
Where are you going to? J Med Chem 57(12):4977–5010
26. Judson RS, Martin MT, Egeghy P, Gangwal S, Reif DM, Kothiya P, Wolf M, Cathey T, Transue
T, Smith D, Vail J, Frame A, Mosher S, Hubal EAC, Richard AM (2012) Aggregating data
for computational toxicology applications: The US Environmental Protection Agency (EPA)
aggregated computational toxicology resource (ACToR) system. Int J Mol Sci 13(2):1805–1831