Use of molecular connectivity indices to predict LC retention of dansylamides in six different eluent systems

A system for predicting the retentions of O-alkyl, n-(1-methylthioethylideneamino) phosphoramidates on RP-HPLC

“…In order to find the best relationship between the chemical structure and the retention properties, many molecular parameters have been used in QSRR studies, including geometry-related parameters [1,2], non-specific parameters [3, 41, a topological index [5,6], physico-chemical parameters [7,8], or a combination of several descriptors [9,10].…”

Retention Prediction System ofO-Aryl,O-(1-methylthioethylidene-amino)phosphates on RP-HPLC

“…Many molecular parameters have been used in QSRR studies, such as geometry-related parameters [3], non-specific parameters [4], topological indices [5], physico-chemical parameters [6], or combinations of several descriptors [7]. Determining the most characteristic parameters in a QSRR study is a critical problem.…”