To facilitate faster selectivity evaluation of wall-coated, open-tubular columns using the solvation parameter model a reduced set of calibration compounds is identified and validated for the temperature ranges 60-140 °C and 160-260 °C. The Kennard-Stone uniform mapping algorithm is used to identify the calibration compounds from a larger database of compounds with known retention properties previously adopted for column selectivity evaluation. Thirty-five compounds for each temperature range are required to minimize the standard deviation of the system constants used for selectivity evaluation and to minimize differences between system constants determined by conventional calibration and the reduced calibration compounds. The models for the reduced calibration compounds on ten siloxane-based and poly(ethylene glycol) stationary phases have a coefficient of determination of 0.984 to 0.998 and standard error of the estimate of 0.012 to 0.30. The predictive capability of models is evaluated for the reduced sets of calibration compounds using external test sets with ranking of the calibration models by changes in the average error, average absolute error and root mean square error of prediction for the test sets. For the selected thirty-five reduced calibration compounds the range for the average absolute error was 0.014 to 0.033 and 0.016 to 0.040 for the root mean square error of prediction for the independent test sets.

为便于使用溶剂化参数模型更快地评估壁涂式空心管色谱柱的选择性，鉴定了一组减少的校准化合物，并针对60-140°C和160-260°C的温度范围进行了验证。Kennard-Stone均匀映射算法用于从较大的化合物数据库中识别校准化合物，该数据库以前具有用于色谱柱选择性评估的已知保留特性。每个温度范围需要35种化合物，以最小化用于选择性评估的系统常数的标准偏差，并使通过常规校准确定的系统常数与减少的校准化合物之间的差异最小。在十个基于硅氧烷和聚乙二醇的固定相上减少的校准化合物的模型的测定系数为0.984至0.998，标准误的估计值为0.012至0.30。使用外部测试集评估模型对简化化合物的预测能力，并通过对测试集预测的平均误差，平均绝对误差和均方根误差的变化对校准模型进行排名。对于所选的35种简化校准化合物，独立测试集的预测均方根误差的平均绝对误差范围为0.014至0.033，0.016至0.040。使用外部测试集评估模型对简化化合物的预测能力，并通过对测试集预测的平均误差，平均绝对误差和均方根误差的变化对校准模型进行排名。对于所选的35种简化校准化合物，独立测试集的预测均方根误差的平均绝对误差范围为0.014至0.033和0.016至0.040。使用外部测试集评估模型对简化化合物的预测能力，并通过对测试集预测的平均误差，平均绝对误差和均方根误差的变化对校准模型进行排名。对于所选的35种简化校准化合物，独立测试集的预测均方根误差的平均绝对误差范围为0.014至0.033和0.016至0.040。