Quantitative structure–retention relationships models for prediction of high performance liquid chromatography retention time of small molecules: Endogenous metabolites and banned compounds
作者： Krzysztof Goryński , Barbara Bojko , Alicja Nowaczyk , Adam Buciński , Janusz Pawliszyn
DOI: 10.1016/J.ACA.2013.08.025
关键词:
摘要: … the descriptor calculations, the Talete srl, DRAGON for Windows Version 5.5–2007 package was used [23]. Dragon software can calculate up to 3224 descriptors … number of descriptors, …
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