Figure 19. SOM showing the distribution of 5726 trade drugs (left) and a 40 × 40 = 1600-member combinatorial library (right) in CATS topological pharmacophore space.

Figure 19

SOM showing the distribution of 5726 trade drugs (left) and a 40 × 40 = 1600-member combinatorial library (right) in CATS topological pharmacophore space. Apparently these two compound collections do not overlap significantly.

From: Analysis of Chemical Space

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