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  • 1
    Electronic Resource
    Electronic Resource
    A robust approach to protein foldability measures based on spin-glass models (2001)
    College Park, Md. : American Institute of Physics (AIP)
    Journal of Mathematical Physics 42 (2001), S. 4283-4290 
    Details
    ISSN: 1089-7658
    Source: AIP Digital Archive
    Topics: Mathematics , Physics
    Notes: Spin-glass models and related methods have been applied to protein folding problems, often by assuming an underlying Gaussian distribution for the energy level distribution. In this paper, we derive robust foldability measures that relax the Gaussian distribution assumption implicit in current foldability and energy gap measures. © 2001 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1379746
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    Robust non-linear regression analysis (1995)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 9 (1995), S. 451-457 
    Details
    ISSN: 0886-9383
    Keywords: non-linear regression ; optimization ; robust methods ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Several robust regression methods, including a new proposal, are described and their properties discussed. Resistance to various types of outliers and non-normality is demonstrated. The techniques are applied to non-linear regression models from chemical kinetics and calibration. Optimization of the types of objective functions encountered when applying robust regression is considered.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180090603
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    Paper (German National Licenses)
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  • 3
    Electronic Resource
    Electronic Resource
    Bootstrap accuracy for non-linear regression models (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 37-44 
    Details
    ISSN: 0886-9383
    Keywords: Bootstrap ; Confidence interval ; Non-linear regression ; Monte Carlo methods ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Non-linear regression models describing the toxicity of a mixture of rotenone and pyrethrins as an insecticide, the catalytic dehydration of n-hexyl alcohol and the Michaelis-Menten model for characterizing reaction rates in enzyme systems will be used to illustrate the accuracy of bootstrap methods in non-linear regression. Classical and bootstrap confidence intervals for the parameter estimates will be presented.
    Additional Material: 5 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080105
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    Paper (German National Licenses)
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  • 4
    Electronic Resource
    Electronic Resource
    Calibrated nonparametric confidence sets (1997)
    Springer
    Journal of mathematical chemistry 21 (1997), S. 103-109 
    Details
    ISSN: 1572-8897
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Mathematics
    Notes: Abstract The construction of confidence sets when multivariate normality holds and in the general case where the usual spherical or elliptical structures may not occur is investigated. Calibration is used to correct the coverage probability of the nonparametric sets, and an example involving parameters from a chemical kinetics model in a biological system is used to demonstrate the techniques. Monte Carlo simulations validate the approach.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1019153931679
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    Paper (German National Licenses)
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