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Methods for reliability and uncertainty assessment and for applicability evaluations of classification- and regression-based QSARs.
Lennart Eriksson, Joanna Jaworska, Andrew P Worth, Mark T D Cronin, Robert M McDowell, and Paola Gramatica
Environ Health Perspect. 2003 August; 111(10): 1361–1375.
PMCID: PMC1241620
 Is Cited by the Following Articles in this Archive:
The Interplay between QSAR/QSPR Studies and Partial Order Ranking and Formal Concept Analyses
Lars Carlsen
Int J Mol Sci. 2009 April; 10(4): 1628–1657. Published online 2009 April 17. doi: 10.3390/ijms10041628.
PMCID: PMC2680638
Quantitative structure-activity relationship studies on nitrofuranyl antitubercular agents
Kirk E. Hevener, David M. Ball, John K. Buolamwini, and Richard E. Lee
Bioorg Med Chem. Author manuscript; available in PMC 2009 September 1.
PMCID: PMC2596992
Published in final edited form as: Bioorg Med Chem. 2008 September 1; 16(17): 8042–8053. Published online 2008 July 29. doi: 10.1016/j.bmc.2008.07.070.
Manuscript: | Abstract | Full Text | PDF–1.4M |
A Structural Modelling Study on Marine Sediments Toxicity
Lorentz Jäntschi and Sorana D. Bolboacã
Mar Drugs. 2008 March; 6(2): 372–388. Published online 2008 June 26. doi: 10.3390/md20080017.
PMCID: PMC2525494
Predicting toxicity through computers: a changing world
Emilio Benfenati
Chem Cent J. 2007; 1: 32. Published online 2007 December 18. doi: 10.1186/1752-153X-1-32.
PMCID: PMC2225399
Assessment of Prediction Confidence and Domain Extrapolation of Two Structure–Activity Relationship Models for Predicting Estrogen Receptor Binding Activity
Weida Tong, Qian Xie, Huixiao Hong, Leming Shi, Hong Fang, and Roger Perkins
Environ Health Perspect. 2004 August; 112(12): 1249–1254. Published online 2004 July 16. doi: 10.1289/txg.7125.
PMCID: PMC1277118
Summary of a workshop on regulatory acceptance of (Q)SARs for human health and environmental endpoints.
Joanna S Jaworska, M Comber, C Auer, and C J Van Leeuwen
Environ Health Perspect. 2003 August; 111(10): 1358–1360.
PMCID: PMC1241619