Predicting enantioseparations on polysaccharide-based stationary phases using achiral and chiral molecular descriptors

- Achiral models: "Achiral models basic mobile phase" includes the achiral descriptors (calculated for molecules in their pH 9 state) used to model the mean retention time (mean tR) and the logarithm of the mean retention factor (log(mean k)) for six chiral stationary phases (CSP). Each model provides both experimental and predicted responses for the analyzed molecules. "Achiral models acidic mobile phase" includes the achiral descriptors (calculated for molecules in their pH 2 state) used to model mean tR and log(mean k) for six CSP. Each model provides both experimental and predicted responses for the analyzed molecules. - Chiral models: The "Chiral descriptors" file contains the calulated chiral descriptors for all analyzed molecules. "Chiral models basic mobile phase with and without pretreatment" includes both experimental and predicted responses (alfaRS) for the molecules analyzed on the OD-RH and LC-4 CSP using the basic mobile phase. "Chiral models acidic mobile phase with and without pretreatment" includes both experimental and predicted responses (alfaRS) for the molecules analyzed on the OD-RH, LA-2 and LA-1 CSP using the acidic mobile phase. "Chiral models basic mobile phase final" includes both experimental and predicted responses (alfaRS) for the molecules analyzed on six CSP using the basic mobile phase. "Chiral models acidic mobile phase final" includes both experimental and predicted responses (alfaRS) for the molecules analyzed on six CSP using the acidic mobile phase.