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| author | Navan Chauhan <navanchauhan@gmail.com> | 2020-10-17 18:24:47 +0530 |
|---|---|---|
| committer | GitHub <noreply@github.com> | 2020-10-17 18:24:47 +0530 |
| commit | db5234cb8b68f2497837b43c9a3d6678353d1a6f (patch) | |
| tree | 4c9d293e68bd106c4c53eb06e76c634d585beb8c /app/misc.ini | |
| parent | 16316fa24cbc9b66a1dbcf9fd8e18506c35d7b91 (diff) | |
| parent | 426d6e460b36690e8fbbc0d09ad34e7bacade61a (diff) | |
Merge pull request #12 from navanchauhan/rdkit-api
added Molecule Properties and Alerts
Diffstat (limited to 'app/misc.ini')
| -rw-r--r-- | app/misc.ini | 13 |
1 files changed, 12 insertions, 1 deletions
diff --git a/app/misc.ini b/app/misc.ini index c474556..9587e56 100644 --- a/app/misc.ini +++ b/app/misc.ini @@ -13,4 +13,15 @@ DB02 = Unknown Hostname, failed to connect to the database. CW01 = Looks like an invalid PDB ID -PC00 = Could not find any compound on PubChem matching the query.
\ No newline at end of file +PC00 = Could not find any compound on PubChem matching the query. + +RD00 = Failed to import RDKit. +RD01 = Could not convert SMILES to molecule, please check the SMILES + +[ALERT_SMARTS] +ESTER = [#6][CX3](=O)[OX2H0][#6] +ANILINE = [NX3][$(C=C),$(cc)] + +[ALERT_DESCRIPTION] +ESTER = The given compound contains Ester. For more details read the paper. +ANILINE = None
\ No newline at end of file |