摘要:

AbstractPartial least squares modelling in latent variables is applied to the analysis of short‐term test genotoxicity data obtained by testing 42 chemicals, known carcinogens and non‐carcinogens, in 35 different assay systems that are deemed to be potential indicators of carcinogencity. Results of a preliminary analysis of all data, and of a second analysis on a reduced data base, are presented. The latter analysis provided a model explaining 73% of variance, whereby no false negative or positive was predicted among 38 chemicals, in spite of qualitative predictions indicating five false positives and two false negatives. Only nine out of 35 assays appear to be relevant to the description of carcinogenicity/non‐carcinogenicity of chemical subst

ISSN:0886-9383    

DOI:10.1002/cem.1180020303

出版商:John Wiley&Sons, Ltd.    

年代:1988

数据来源: WILEY

摘要:

AbstractThere has been a steadily increasing demand for more computational power in surface and interface analysis. This paper reports attempts to meet these demands through the use of different computing systems, ranging from minicomputer to supercomputer. Representative laboratory data processing programs for ion microscopic analysis are used to evaluate the performance of each system. The bottlenecks and other problems involved in running analytical programs on faster machines are identified and discussed. Results indicate that in order to attain the optimal cost‐performance ratio, programs must be tailored to specific forms required by the computing system. Algorithms must be formulated to exploit available vector and parallel processing capabilitie

ISSN:0886-9383    

DOI:10.1002/cem.1180020304

出版商:John Wiley&Sons, Ltd.    

年代:1988

数据来源: WILEY

摘要:

AbstractMicrostructure laboratory equipment can most easily be interfaced to computers of the PC generation, which offers the facility to extract more information from the measurements performed. A formulation of the Savitzky‐Golay smoother with a newly developed calculation of the necessary weighting factors provides enhanced flexibility in the choice of the smoothing parameter

ISSN:0886-9383    

DOI:10.1002/cem.1180020305

出版商:John Wiley&Sons, Ltd.    

年代:1988

数据来源: WILEY

摘要:

AbstractIn this paper we develop the mathematical and statistical structure of PLS regression. We show the PLS regression algorithm and how it can be interpreted in model building. The basic mathematical principles that lie behind two block PLS are depicted. We also show the statistical aspects of the PLS method when it is used for model building. Finally we show the structure of the PLS decompositions of the data matrices involved.

ISSN:0886-9383    

DOI:10.1002/cem.1180020306

出版商:John Wiley&Sons, Ltd.    

年代:1988

数据来源: WILEY

ISSN:0886-9383    

DOI:10.1002/cem.1180020307

出版商:John Wiley&Sons, Ltd.    

年代:1988

数据来源: WILEY

ISSN:0886-9383    

DOI:10.1002/cem.1180020308

出版商:John Wiley&Sons, Ltd.    

年代:1988

数据来源: WILEY

ISSN:0886-9383    

DOI:10.1002/cem.1180020302

出版商:John Wiley&Sons, Ltd.    

年代:1988

数据来源: WILEY