Structure Retention Relationship for Steroid Hormones. Functional Groups as Structural Descriptors
Nina Sadlej‐Sosnowska · Journal of Liquid Chromatography · 1994
Quantitative Structure Retention Relationship was investigated for a group of thirty steroid hormones. Structure of every compound was represented as a combination of the estrane skeleton and three to nine elements of a set of eighteen molecular fragments. Capacity factors of these compounds were represented as a sum of contributions due to the individual molecular fragments. From the temperature dependence of capacity factors the enthalpy and entropy of the retention process of these compounds were determined. It was shown that the enthalpy can also be considered as additive. Contributions to the capacity factor and to the enthalpy due to individual molecular fragments were calculated by the multiple regression method.