New perspectives in the prediction of kováts indices
1976; Elsevier BV; Volume: 126; Linguagem: Inglês
10.1016/s0021-9673(01)84071-1
ISSN1873-3778
AutoresJacques R. Chrétien, Jacques‐Emile Dubois,
Tópico(s)Analytical Chemistry and Chromatography
ResumoSets of Kováts indices corresponding to different chromatographic conditions and/or to different chemical families can be rendered coherent by the use of topology-information correlations established according to the principles of the DARC (Description, Acquisition, Retrieval and Conception) topological system. These correlations are based on the Kováts indices or on data derived from these indices (Kováts index increment, δI, and isotopology factor, τI). They serve to demonstrate the prediction potential, the minimization of the number of parameters and of the number of data, and the precision of our approach. Chromatographic retention data banks can be envisaged on the basis of this approach.
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