Question: How to download all drugs information like boiling point, melting point, smiles etc. from either drugbank or pubchem?
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gravatar for gouravparmar729
4.7 years ago by
gouravparmar7290 wrote:

Need a ftp link to download the drug informations from drugbank or pubchem.

ADD COMMENTlink modified 3.4 years ago by leonqli20 • written 4.7 years ago by gouravparmar7290
1
gravatar for leonqli
3.4 years ago by
leonqli20
leonqli20 wrote:

For boiling point and melting point and other drug information you may download it here from PubChem:

https://pubchem.ncbi.nlm.nih.gov/source/DrugBank#data=Annotations

For smiles, you may find it here:

  1. https://www.ncbi.nlm.nih.gov/pccompound/limits
  2. Select "DrugBank" in Source of the Source & category. Then, click "Search", to get all DrugBank Compound in PubChem on the next page.
  3. You may use the "Structure Download" link in the "Actions on your results" on right side panel. You may specify SDF, SMILES, or other formats after clicking the link.
ADD COMMENTlink modified 3.4 years ago • written 3.4 years ago by leonqli20
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