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Prediction of Gas-Chromatographic Retention Indices Using Topological Descriptors

✍ Scribed by Pompe, M.; Novic, M.


Book ID
121475872
Publisher
American Chemical Society
Year
1999
Tongue
English
Weight
83 KB
Volume
39
Category
Article
ISSN
0095-2338

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Prediction of gas chromatographic retent
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## Abstract In this work, quantitative structure‐retention relationship (QSRR) approaches were applied for modeling and prediction of the retention index of 282 amino acids (AAs) and carboxylic acids (CAs). Descriptors that were used to encode structural features of molecules in a data set were cal