Skip to content

Commit

Permalink
Replaced Fréchet 1D distance with Wasserstein-1 1D distance for prope…
Browse files Browse the repository at this point in the history
…rties (#79)
  • Loading branch information
danpol authored Mar 26, 2020
1 parent 8bdfd14 commit b75dd89
Show file tree
Hide file tree
Showing 9 changed files with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion README.md
Original file line number Diff line number Diff line change
Expand Up @@ -232,7 +232,7 @@ Besides standard uniqueness and validity metrics, MOSES provides other metrics t
</table>


For comparison of molecular properties, we computed the Frèchet distance between distributions of molecules in the generated and test sets. Below, we provide plots for lipophilicity (logP), Synthetic Accessibility (SA), Quantitative Estimation of Drug-likeness (QED) and molecular weight.
For comparison of molecular properties, we computed the Wasserstein-1 distance between distributions of molecules in the generated and test sets. Below, we provide plots for lipophilicity (logP), Synthetic Accessibility (SA), Quantitative Estimation of Drug-likeness (QED) and molecular weight.

|logP|SA|
|----|--|
Expand Down
Binary file modified images/QED.pdf
Binary file not shown.
Binary file modified images/QED.png
Loading
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
Binary file modified images/SA.pdf
Binary file not shown.
Binary file modified images/SA.png
Loading
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
Binary file modified images/logP.pdf
Binary file not shown.
Binary file modified images/logP.png
Loading
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
Binary file modified images/weight.pdf
Binary file not shown.
Binary file modified images/weight.png
Loading
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.

0 comments on commit b75dd89

Please sign in to comment.