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t-SNE [message #1675] Fri, 15 July 2022 09:48 Go to previous message
sansun is currently offline  sansun
Messages: 45
Registered: April 2019

I have generated t-SNE 3D plot to compare two libraries (green and blue) using SkelSphere descriptor.
The molecules in the two libraries are kind of making separate clusters. Can we say the chemical space of the two libraries do not overlap considerably or they contain different type of structures?

If yes, how can we represent this conclusion quantitatively using t-SNE?


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