mcs07/PubChemPy

Issues

• Certain compounds cannot be retrieved by name anymore

  #81 opened 6 months ago by gmboyer
  0

• Is it possible to get 3D coordinates of ligand using CID or SID?

  #72 opened 2 years ago by drorhunvural
  1

• Obtaining hazard classes and categories

  #80 opened 8 months ago by azalewski1
  0

• Minor python syntax problem

  #79 opened 9 months ago by pjknowles
  0

• Assay.from_aid().to_dict() fails for multiple AIDs

  #77 opened a year ago by watplatt
  0

• obtaining CCS values

  #76 opened a year ago by pbjarterot
  0

• Timeout

  #75 opened a year ago by Academich
  0

• obtaining compounds by property

  #74 opened a year ago by Jameel9
  0

• Is it possible to list the position of each functional group (atom number of key atom) in iupac name?

  #73 opened a year ago by sjchasel
  0

• Is it possible to calculate the PMI of the compounds?

  #71 opened 2 years ago by YojanaGadiya
  0

• Errors in the encoding of some bits

  #70 opened 2 years ago by salvogalati
  1

• Using the search bar

  #69 opened 2 years ago by NadavQuris
  0

• pubchempy missing results available on the pubchem web page

  #68 opened 2 years ago by drmatthewclark
  1

• Textual Descriptions

  #47 opened 4 years ago by FL33TW00D
  2

• how to download several compounds at once?

  #26 opened 2 years ago by UnixJunkie
  6

• Dose

  #67 opened 2 years ago by PARODBE
  0

• Search with InChI and InChI key not working

  #66 opened 2 years ago by voidpunk
  2

• API down for SMILES Search?

  #64 opened 2 years ago by jannisborn
  2

• Get SDF coordinates

  #63 opened 3 years ago by areyesromero
  1

• BadRequestError

  #33 opened 6 years ago by kgChem
  6

• to_dic bugs on Substance

  #59 opened 3 years ago by HYUNSEONG-KIM
  0

• JSON Decode Error when using similarity search

  #55 opened 3 years ago by Cajac102
  2

• Extracting Dielectric constant

  #54 opened 3 years ago by raghavven
  1

• Feature suggest, documentation on readthedocs.io w/ pdf

  #57 opened 3 years ago by nbehrnd
  0

• Unable to get 3D structures for some molecules using Pubchempy

  #49 opened 4 years ago by ffzffz08
  3

• Fix warning: "is not" with a literal. Did you mean "!="?

  #52 opened 3 years ago by mehr-licht
  0

• Generating Pubchem Binary Fingerprint

  #51 opened 3 years ago by hyojin0912
  0

• substance SID is being returned as compound CID

  #44 opened 3 years ago by atloo1
  1

• How to use this code for generate input file form pubchem

  #50 opened 4 years ago by debanjansen48
  0

• pubchempy.ServerError: 'PUGREST.ServerError'

  #48 opened 4 years ago by dilipkrishnamurthy
  1

• How to retrieve compounds' physical property?

  #46 opened 4 years ago by Yaoyx
  4

• ImportError: Failed to import test module: pubchempy_test

  #45 opened 4 years ago by kevinsmia1939
  0

• Search by canonical SMILES to retrieve all stereoisomers

  #42 opened 4 years ago by BalooRM
  1

• Conda installation problems

  #35 opened 4 years ago by S1mHub
  2

• search by name function is not working for tetrabamate

  #32 opened 4 years ago by MALKAKER
  1

• Returncode if the structure does not exist

  #36 opened 5 years ago by spirit01
  1

• Retrieving MoA (mechanism of action)

  #38 opened 5 years ago by phosseini
  1

• How to set proxy for this lib instead of global proxy？

  #40 opened 5 years ago by Sturmfrei-I
  0

• SMILES string full of tungsten

  #39 opened 5 years ago by jtd1g16
  1

• Search by CAS #?

  #37 opened 5 years ago by theman0605
  2

• SSL error

  #34 opened 6 years ago by jacobdp24
  1

• PubChemPy stopped working today

  #31 opened 6 years ago by daochenw
  3

• Getting 3D coordinates

  #30 opened 6 years ago by kumrud
  1

• testing glucose example

  #28 opened 7 years ago by pgreisen
  1

• the sdf record approach recommend

  #27 opened 7 years ago by a358003542
  0

• Broken services or IP ban

  #25 opened 7 years ago by StephaneKazmierczak
  1

• Is there a way to get all the SMILES for an assay?

  #24 opened 7 years ago by miguelroboso
  0

• Xref-queries always 404

  #18 opened 7 years ago by RickardSjogren
  1

• Two substance tests out-of-date

  #20 opened 7 years ago by RickardSjogren
  0

• Fetch Solubility data

  #16 opened 8 years ago by rraadd88
  2