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docking-org / cartblanche22

A molecule shopping cart and ZINC-22 search tool
https://cartblanche22.docking.org
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Search responses should have same structures #17

Closed zula1010 closed 3 years ago

zula1010 commented 3 years ago
  1. Search single zinc_id - > http://cartblanche22.docking.org/search.json?zinc_id=ZINCms000002NiP3
  2. Search list of zinc_ids -> curl http://cartblanche22.docking.org/substances.json -F zinc_id-in=@/nfs/exd/zinc-22/H16/H16P220/H16P220-N.txt
  3. Search list of supplier code -> curl http://cartblanche22.docking.org/catlist -F supplier_code-in="s_107037054401080206"
  4. Search list of smiles -> curl http://cartblanche22.docking.org/smilelist -F smiles-in="[C+]2(=C1CCCCC1)=CC=CC=C2,C1=CC=CC=C1C2=CC=CC=C2" -F dist=0

They must include

  1. smiles
  2. zinc_ids
  3. tranches
  4. full catalog name
  5. supplier code
ChinzoD commented 3 years ago

Fixed