Lorentz JÄNTSCHI (lori) works ?id=235
- [id] => 235
- [recorddate] => 2013:03:05:13:47:49
- [lastupdate] => 2013:03:05:13:47:49
- [type] => article
- [place] => Cluj-Napoca, Romania
- [subject] => chemistry - biochemistry; chemistry - organic; mathematics - modeling; mathematics - statistics
- [relatedworks] =>
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- [file] => ?f=235
- [mime] => application/pdf
- [size] => 268071
- [pubname] => Studia Universitatis Babeş-Bolyai. Series Chemia
- [pubinfo] => Babes-Bolyai University
- [pubkey] => ISSN 1224-7154 eISSN 2065-9520
- [workinfo] => LVI(1): 157-166
- [year] => 2011
- [title] => Dependence between determination coefficient and number of regressors: a case study on retention times of mycotoxins
- [authors] => Sorana D. BOLBOACĂ, Lorentz JÄNTSCHI, Radu E. SESTRAŞ
- [abstract] =>
In the present work, a dependence analysis of the determination coefficient and the number of regressors was carried out on a set of 65 mycotoxins.
The simple and multiple regression techniques were used to identify the linear relationship between retention times and molecular descriptors calculated with HyperChem from the optimized 3D structures.
The highest number of regressors to be used in investigating the retention times as function of mycotoxins investigated properties must be equal to 5.
As far as the dependence between number of regressors and determination coefficient was concerned, the analysis revealed that the best relationship is linear if the cutoff is set at 4 or 5 regressors while exponential for more than 5 regressors.
The results must be verified on other classes of compounds and other dependent or independent variables in order to be extrapolated.
- [keywords] => mycotoxins; retention time; regression analysis
- [acknowledgment] => This paper is dedicated to Prof. Simion GOCAN on the occasion of his 80th birthday.