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. Author manuscript; available in PMC: 2020 Mar 4.
Published in final edited form as: Metab Eng. 2017 Oct 10;44:171–181. doi: 10.1016/j.ymben.2017.09.016

Figure 3. Compounds selected by scientists are not necessarily diverse.

Figure 3.

tSNEs for (A) Car and (B) MenD. Within each set, there are multiple distinct portions of chemical space represented, yet the existing datasets do not capture the diversity inherent in biologically relevant chemical space. Active compounds in each set are represented by green +, inactive compounds by red −, and untested compounds by grey circles.