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Fig. 4 | Journal of Cheminformatics

Fig. 4

From: Machine learning approaches to optimize small-molecule inhibitors for RNA targeting

Fig. 4

Groups of molecules based on the features revealed by the decision tree. The characteristics of each group are tabulated at the top of each column. Group a is the only group that has binding score of − 13.2 or better. It may be seen that the atomic bond that is connected to location 8 on the scaffold contains two nitrogen atoms and at least 3 carbon atoms, and no other kinds of atom (such as chlorine, fluorine, oxygen, etc.)

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