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GEMPLS: A New QSAR Method Combining Generic Evolutionary Method and Partial Least Squares

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Academic year: 2021

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Fig. 1. The framework and steps of GEMPLS applied in the COMBINE analysis
Table 1 shows the execution times, the numbers of selected features, and the values  of lv of PLS, GAPLS and GEMPLS with five different Mahalanobis distance criteria
Figure 2 shows a typical QSAR model yielded by GEMPLS. This model reveals  some experimental evidences
Table A. HIV-1 protease inhibitors used in training set (1-32) and test set (33-48), and their  corresponding observed inhibitory activities (pIC 50 )

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