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Add function to return Tanimoto similarity indices #117

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Kohulan opened this issue Apr 17, 2023 · 0 comments · Fixed by #125
Closed

Add function to return Tanimoto similarity indices #117

Kohulan opened this issue Apr 17, 2023 · 0 comments · Fixed by #125
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enhancement New feature or request

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Kohulan commented Apr 17, 2023

  • Tanimoto similarity index comparing two SMILES
  • Create functions for CDK and RDKit
  • Process via chem
  • Default, for now, could be CDK= PubChem fingerprint, RDKit= Morgan Fingerprints
@Kohulan Kohulan added the enhancement New feature or request label Apr 17, 2023
@Kohulan Kohulan self-assigned this Apr 17, 2023
Kohulan added a commit that referenced this issue Apr 18, 2023
@Kohulan
feat: Add calculating Tanimoto similarity #117
c64f931
@Kohulan Kohulan linked a pull request Apr 19, 2023 that will close this issue
Development #125
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@CS76 CS76 closed this as completed in #125 Apr 26, 2023
@NishaSharma14 NishaSharma14 mentioned this issue Apr 26, 2023
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@NishaSharma14 NishaSharma14 mentioned this issue Jul 4, 2023
Merged
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