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Acta Chim Slov

Title:		Modeling of the Mass Spectrometric Response Factors in Non-target Analysis
Author(s):		Arh G; Klasinc L; Veber M; Pompe M;
Address:
Journal Title:		Acta Chim Slov
Year:		2010
Volume:		57
Issue:		3
Page Number:		581 - 585
DOI:
ISSN/ISBN:		1318-0207 (Print) 1318-0207 (Linking)
Abstract:		"Experimental MS response factors were measured for 36 different saturated and unsaturated volatile organic compounds (VOC) containing carbon, hydrogen and halogen atoms. Chemical structure was encoded using various molecular descriptors. A quantitative structure-property relationship model was established using the multiple linear regression models. The cross-validation ability of the created model was estimated by leave-one-out cross-validation procedure. Error in the cross-validation of response factors was calculated by cross-validation procedure and was 15%, which is sufficient for the determination of VOCs in the air. The proposed procedure can be used for simultaneous qualitative and quantitative determination of volatile organic compounds in the atmosphere"
Keywords:
Notes:		"PubMed-not-MEDLINEArh, Gregor Klasinc, Leo Veber, Marjan Pompe, Matevz eng Slovenia 2010/09/01 Acta Chim Slov. 2010 Sep; 57(3):581-5"