摘要:

AbstractTwenty‐two contrasting statistical methods are reviewed for their applicability to QSAR studies and similar prediction‐oriented fields. Each method is concisely specified prior to explanatory or critical comm

ISSN:0886-9383    

DOI:10.1002/cem.1180080103

出版商:John Wiley&Sons, Ltd.    

年代:1994

数据来源: WILEY

摘要:

AbstractIf an analytical instrument or instrumental method gives a response matrix when analyzing a pure analyte, the instrument or instrumental method is called a second‐order method. Second‐order methods that generate a response matrix for a pure analyte of rank one are called rank‐one second‐order methods. If the response matrix of a pure analyte is not rank one, essentially two cases exist: medium rank (between two and five) and high rank (greater than five). Subsequently, medium‐ and high‐rank second‐order calibration tries to use medium‐ and high‐rank second‐order methods to analyze for analytes of interest in a mixture. A particular advantage of second‐order methods is the ability to analyze for analytes of interest in a mixture which contains unknown interferences. Keeping this advantage is the challenge on moving away from rank‐one second‐order calibration methods. In this paper a medium‐rank second‐order calibration method is proposed based on least‐squares restricted Tucker models. With this method the sec

ISSN:0886-9383    

DOI:10.1002/cem.1180080104

出版商:John Wiley&Sons, Ltd.    

年代:1994

数据来源: WILEY

摘要:

AbstractNon‐linear regression models describing the toxicity of a mixture of rotenone and pyrethrins as an insecticide, the catalytic dehydration ofn‐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 pr

ISSN:0886-9383    

DOI:10.1002/cem.1180080105

出版商:John Wiley&Sons, Ltd.    

年代:1994

数据来源: WILEY

摘要:

AbstractThe effects of correlated and uncorrelated random errors on the precision of predicted quantitative and qualitative information obtained by analysis with the generalized rank annihilation method (GRAM) are shown. These are discussed in terms of propagation of errors through the algorithm. The effects of colinearity, noise level and noise distribution are compared and discussed.

ISSN:0886-9383    

DOI:10.1002/cem.1180080106

出版商:John Wiley&Sons, Ltd.    

年代:1994

数据来源: WILEY

摘要:

AbstractGenetic algorithms have been proved to be a very efficient method in the feature selection problem. However, as for every other method, if the validation of the results is performed in an incomplete way, erroneous conclusions can be drawn. In this paper a development of a previous genetic algorithm is presented so that a full validation of the results can be obtained. Furthermore, this algorithm has been shown to perform very well also as an outlier detector, allowing easy identification of the presence of outliers even in cases where the ‘classical’ techniques f

ISSN:0886-9383    

DOI:10.1002/cem.1180080107

出版商:John Wiley&Sons, Ltd.    

年代:1994

数据来源: WILEY

摘要:

AbstractA graphical method of assessing differences between sets of rankings based on cumulative ranks is developed. The method can be used to identify rankings that differ over all or just part of the range of objects ranked. The method is applied to an example of sensory evaluation of green peas in which ten assessors scored six attributes on each of 60 samples.

ISSN:0886-9383    

DOI:10.1002/cem.1180080108

出版商:John Wiley&Sons, Ltd.    

年代:1994

数据来源: WILEY

ISSN:0886-9383    

DOI:10.1002/cem.1180080109

出版商:John Wiley&Sons, Ltd.    

年代:1994

数据来源: WILEY

ISSN:0886-9383    

DOI:10.1002/cem.1180080110

出版商:John Wiley&Sons, Ltd.    

年代:1994

数据来源: WILEY

ISSN:0886-9383    

DOI:10.1002/cem.1180080111

出版商:John Wiley&Sons, Ltd.    

年代:1994

数据来源: WILEY

ISSN:0886-9383    

DOI:10.1002/cem.1180080112

出版商:John Wiley&Sons, Ltd.    

年代:1994

数据来源: WILEY