Skip to main content
. Author manuscript; available in PMC: 2023 Mar 7.
Published in final edited form as: Nat Mach Intell. 2022 Mar 7;4(3):189–191. doi: 10.1038/s42256-022-00465-9

Figure 1.

Figure 1.

A t-SNE plot visualization of the LD50 dataset (cyan) and top 2000 MegaSyn AI-generated and predicted toxic molecules (salmon) illustrating VX (purple and 2D structure). Many of the molecules generated are predicted as more toxic in vivo in the animal model than VX (histogram showing cutoff for VX LD50).