{"title":"自由-威尔逊矩阵到傅里叶系数的变换","authors":"M. Holǐk, J. Halámek","doi":"10.1002/1521-3838(200112)20:5/6<422::AID-QSAR422>3.0.CO;2-Z","DOIUrl":null,"url":null,"abstract":"Fourier Transform is suggested as a way to change site and\nsubstituent oriented variables into new only latently dependent\nones. It is possible to find out a model with a low standard\nerror of prediction, SEP%, of activity for not yet prepared\ncompounds. Testing power of the correlation coefficient is\nimproved by calculating a probability, PR, that the regression\nis made only by chance.","PeriodicalId":20818,"journal":{"name":"Quantitative Structure-activity Relationships","volume":null,"pages":null},"PeriodicalIF":0.0000,"publicationDate":"2001-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"4","resultStr":"{\"title\":\"Transformation of a Free-Wilson Matrix into Fourier Coefficients\",\"authors\":\"M. Holǐk, J. Halámek\",\"doi\":\"10.1002/1521-3838(200112)20:5/6<422::AID-QSAR422>3.0.CO;2-Z\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Fourier Transform is suggested as a way to change site and\\nsubstituent oriented variables into new only latently dependent\\nones. It is possible to find out a model with a low standard\\nerror of prediction, SEP%, of activity for not yet prepared\\ncompounds. Testing power of the correlation coefficient is\\nimproved by calculating a probability, PR, that the regression\\nis made only by chance.\",\"PeriodicalId\":20818,\"journal\":{\"name\":\"Quantitative Structure-activity Relationships\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2001-12-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"4\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Quantitative Structure-activity Relationships\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1002/1521-3838(200112)20:5/6<422::AID-QSAR422>3.0.CO;2-Z\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Quantitative Structure-activity Relationships","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1002/1521-3838(200112)20:5/6<422::AID-QSAR422>3.0.CO;2-Z","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Transformation of a Free-Wilson Matrix into Fourier Coefficients
Fourier Transform is suggested as a way to change site and
substituent oriented variables into new only latently dependent
ones. It is possible to find out a model with a low standard
error of prediction, SEP%, of activity for not yet prepared
compounds. Testing power of the correlation coefficient is
improved by calculating a probability, PR, that the regression
is made only by chance.
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