Neural Networks Used in Chromatography (Ⅰ)─prediction of GC Retention Parameters

Chem. J. Chinese Universities ›› 1994, Vol. 15 ›› Issue (12): 1775.

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Neural Networks Used in Chromatography (Ⅰ)─prediction of GC Retention Parameters

LI Zhi-Liang^1,2, O. Yaegashi², LIANG Ben-Xi¹, SHI Le-Ming³

1. Hunan University, Changsha, 410082;
2. Toyohashi University of Technology, Japan;
3. Institute of Chemical Metallurgy, Academia Sinica

Received:1994-01-31 Revised:1994-07-05 Online:1994-12-24 Published:1994-12-24

Abstract

Abstract: Neural networks algorithm was applied to chromatography. The relationship between GCretention parameters and induction effect I, hydrophobic index lgP, molar refractivity MRand molecular connection ¹χ was studied by using the modified backpropagation (MBP) neural networks. The GCretention indices of alphatic amines, alcohols, acids and esters were estimated and predicted with relative error less than₁₀%. The neural network method behaved as a good modelling technique for predicting GCretention parameters and might therefore be regarded as a powerful chemometric method.

Key words: Neural networks, Modified propagation algorithm, GC retention parameters

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LI Zhi-Liang, O. Yaegashi, LIANG Ben-Xi, SHI Le-Ming. Neural Networks Used in Chromatography (Ⅰ)─prediction of GC Retention Parameters[J]. Chem. J. Chinese Universities, 1994, 15(12): 1775.

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Neural Networks Used in Chromatography (Ⅰ)─prediction of GC Retention Parameters

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