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Showing 1 to 1 of 1 for “"HPLC Retention Index"”.
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Prediction of HPLC Retention Index Using Artificial Neural Networks and IGroup E-State Indices
… model of high performance liquid chromatography retention index (HPLC-RI) for a dataset of 498 diverse drug-like compounds. A 10 fold multiple linear regression (MLR) ensemble model of the same data was developed for comparison. Molecular structure was described using IGroup E-State indices, a …