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Issues list

Missing preferred citation format in the documentation.
#40 opened May 9, 2023 by nierja updated Nov 25, 2024
1
Only one molecule from the input SMILES file is processed... bug
#30 opened Nov 12, 2018 by UnixJunkie updated May 11, 2021
7
RDKit Integration
#37 opened Aug 17, 2020 by jvansan updated Apr 30, 2021
6
Unable to standardize some PubChem molecules
#39 opened Mar 24, 2021 by VladislavChernykh updated Mar 27, 2021
1
tautomer.TautomerEnumerator() function
#38 opened Sep 1, 2020 by mmagithub updated Sep 2, 2020
6
standardize should unsalt
#33 opened Feb 6, 2019 by UnixJunkie updated Feb 6, 2019
Tautomer canonicalization bug
#31 opened Nov 26, 2018 by driesvr updated Nov 26, 2018
test_tautomer.py extended results in C++ implementation
#29 opened Sep 8, 2018 by doctorx84 updated Sep 10, 2018
1
Propagate the warning 'Tautomer enumeration stopped at maximum... '
#28 opened Aug 20, 2018 by ribeaud updated Aug 20, 2018
stdout=False - output is still printed
#27 opened Aug 6, 2018 by chupvl updated Aug 6, 2018
TautomerCanonicalizer gives unexpected/forbidden form of phosphoric acid bug
#20 opened Feb 8, 2018 by benbowen updated Feb 9, 2018
3
Is there salt removal implemented in there? question
#16 opened Jan 25, 2018 by UnixJunkie updated Feb 8, 2018
3
Not a bug but feature request: function to score a single tautomer enhancement
#9 opened Mar 25, 2017 by jose-manuel updated Feb 7, 2018
Additional normalization SMIRKS enhancement
#11 opened Apr 7, 2017 by jw-feng updated Feb 7, 2018
Tautomer patterns should be referenced to their original research paper. documentation
#13 opened Sep 5, 2017 by ghost updated Feb 7, 2018
Triazole tautomers not normalized
#12 opened Apr 13, 2017 by jw-feng updated Apr 13, 2017
Loss of chirality when converting to canon tautomer
#10 opened Apr 2, 2017 by jose-manuel updated Apr 3, 2017
1
Canonical carbohydrates?
#6 opened Dec 20, 2016 by benbowen updated Dec 20, 2016
new Tautomeric transform (ring-chain tautomerism)
#2 opened Dec 24, 2015 by alexisparenty updated Dec 24, 2015
ProTip! no:milestone will show everything without a milestone.