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Predictions of gas chromatographic retention characteristics of barbiturates from molecular structure

Stead, AH; Gill, R; Evans, AT; Moffat, AC; (1982) Predictions of gas chromatographic retention characteristics of barbiturates from molecular structure. Journal of Chromatography A , 234 (2) pp. 277-283. 10.1016/S0021-9673(00)81866-X.

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Abstract

Gas chromatographic retention indices of 23 5,5-disubstituted barbituric acid derivatives have been related to the numbers of carbon atoms, molecular weights and molecular connectivity values of the substituent groups. Correlations are low when all compounds are considered, but are excellent when the barbiturates are divided into chemically similar sub-groups. Retention data can be predicted with great accuracy. Overall correlations can be improved either by combination of selected connectivity terms or by modification of existing rules for their calculation. General relationships with very high predictive power are described and their applications discussed. © 1982.

Type: Article
Title: Predictions of gas chromatographic retention characteristics of barbiturates from molecular structure
DOI: 10.1016/S0021-9673(00)81866-X
UCL classification: UCL > Provost and Vice Provost Offices
UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences
UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences > Faculty of Life Sciences
UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences > Faculty of Life Sciences > UCL School of Pharmacy
URI: http://discovery.ucl.ac.uk/id/eprint/1353007
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