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Improvements and Fixes (Peer Review)
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@swansonk14 swansonk14 released this 09 May 05:33
· 4 commits to main since this release
v_1.3.0
1e5d1a8
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swansonk14
GPG key ID: A0208720A4593AA6
Learn about vigilant mode.

This release contains improvements and fixes, including those suggested by peer reviewers for our ADMET-AI paper (thank you reviewers!). Below is a non-exhaustive list of changes.

  • Changing radar plot toxicity from the max across all toxicity endpoints to just the ClinTox toxicity for ease of interpretability
  • Adding scripts to the local version of ADMET-AI to generate radar plots and DrugBank reference scatter plots
  • Fixing dependencies (e.g., Chemprop==1.6.1 due to incompatibility with Chemprop version 2)
  • UI improvements to the website, including the version number and links to the Valence blog post and to the code on GitHub
  • Adding species information for each ADMET endpoint on the website
  • Clipping infeasible values on the website (e.g., half life < 0 hours)
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