Gene Expression Programming (GEP) is an orginal and an effective searching method. Multiple Linear Regression (MLR), Artificial Neural Network (ANN) and GEP techniques were used to investigate the correlation between retention indices (RI) and descriptors for 91 oxygen-containing organic compounds. The correlation coefficient on OV-1 column is 0.9891(for ANN), 0.9919(for GEP), and 0.9911(for MLR), on SE-54 column is 0.9892(for ANN), 0.9955(for GEP), and 0.9917(for MLR). As shown from the results, the predicted values by GEP and the experimental values are in good agreement, Also, the QSRR model by GEP is better than QSRR models by ANN and MLR methods.
['Xiaotong Zhang', 'Ting Sun', 'Lihua Shi', 'Ling Ding', 'Zhaolin Sun', 'Lijuan Song']
Quantitative Structure-Retention Relationship (QSRR) study of oxygen-containing organic compounds based on Gene Expression Programming (GEP)