Practical retention index models of OV-101, DB-1, DB-5, and DB-Wax for flavor and fragrance compounds

High-quality regression models of gas chromatographic retention indices were generated for OV-101 (R=0.997), DB-1 (R=0.998), DB-5 (R=0.997), and DB-Wax (R=0.982) using 91, 57, 94, and 102 compounds, respectively. The models were generated using a second-order equation including the cross product utilizing two easily obtained variables, boiling point and the log octanol-water coefficient. Additionally, a method for determining outlier data (the GOodner Outlier Determination (GOOD) method) is presented, which is a combination of several outlier tests and is less prone to discarding legitimate data.