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Table S1. The imidazo[1,5-a]pyrido[3,2-e]pyrazines used in the QSAR modeling.

Table S2. Statistical parameters for different numbers of descriptors selected by PSO and used in the QSAR modeling.

Table S3. Statistical parameters for different numbers of descriptors selected by GA and used in the QSAR modeling.

Table S4. Statistical parameters for different numbers of descriptors selected by SMLR and the used in the QSAR modeling.

Figure S1. Factor analysis loading plot of (a) the six descriptors selected by PSO, (b) the seven descriptors selected by GA, and (c) the five descriptors selected by SMLR.

Figure S2. RMSECV as a function of the numbers of nearest neighbors and latent variables, for (a) PSO/LWRE, (b) PSO/LWRM, (c) GA/LWRE, and (d) GA/LWRM.

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