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Clustering #1

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cthoyt opened this issue Apr 25, 2018 · 0 comments
Open

Clustering #1

cthoyt opened this issue Apr 25, 2018 · 0 comments
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cthoyt commented Apr 25, 2018

  1. Make a binary matrix of drugs by targets. Do hierarchical clustering for funnies
  2. Define compound similarity based on the Jaccard index of their targets. Define target similarity based on their compounds (consider making fuzzy to allow compounds to have real valued memberships, and also allow similar compounds based on tanimoto coefficient of MACCS keys)
@cthoyt cthoyt self-assigned this Apr 25, 2018
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