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[cartridge] molecular equality should use do_chiral_sss setting #2790

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greglandrum opened this issue Nov 15, 2019 · 0 comments
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[cartridge] molecular equality should use do_chiral_sss setting #2790

greglandrum opened this issue Nov 15, 2019 · 0 comments

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@greglandrum
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If we're not doing chiral substructure search, this query should return true:

chembl_25=# set rdkit.do_chiral_sss=false;
SET
chembl_25=# select 'C[C@H](F)Cl'::mol@='C[C@@H](F)Cl'::mol;
 ?column? 
----------
 f
(1 row)
@greglandrum greglandrum added this to the 2019_09_2 milestone Nov 15, 2019
@greglandrum greglandrum modified the milestones: 2019_09_2, 2019_09_3 Dec 3, 2019
@greglandrum greglandrum modified the milestones: 2019_09_3, 2020_03_1 Jan 6, 2020
greglandrum added a commit to greglandrum/rdkit that referenced this issue Jan 6, 2020
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