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SOM prediction for hAOX
We proposed a ligand-based model for the metabolism prediction catalyzed by hAOX. Compared with the published models, our model achieved better performance (ACC=0.91, F1=0.77). This web server provides a convenient and automatable tool for accelerating the drug design and optimization stage. However, the data volume is relatively small due to the limitation of the data available (training set size: SOMs: 322, non-SOMs: 315. test set size: SOMs: 56, non-SOMs: 112).