epam / epam/Indigo

bingo.getsimilarity generate wrong similarity

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Dominant language
C++
Stars
406
Forks
134
Avg merge
2d 11h
Merged PRs (30d)
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Description

**Steps to Reproduce**
```SQL
select bingo.getsimilarity(
'CC(CC(C1=CC=CC=C1)c2c(O)c3cc(O)ccc3oc2=O)=O',
'O1C(C([C@@H](CC(C)=O)C2C=CC=CC=2)=C(C2=CC(=CC=C12)O)O)=O',
'tanimoto');
```

**Expected behavior**
1

**Actual behavior**
0.34513274

**Indigo/Bingo version**
Bingo 1.9.1.r1-g302eead linux64

I had to use aromatize in indigo to aromatize smiles before store into db, but i cannot process in db, quite not make sense.

Contributor guide

No contributing guide indexed for this repository

Research direction

Start by reproducing the supplied bingo.getsimilarity SQL call using the reported Bingo 1.9.1.r1-g302eead linux64 version, then inspect how aromatization is handled before storage and during database similarity processing. Done means the reported molecule pair produces the expected similarity of 1, with the behavior covered by an appropriate regression test.

Written by the indexing model from the issue text.

Assessment

Tech stack
cpp, postgresql
Domain
databases
Issue type
Bug
Difficulty
4/5
Estimated time
3-5 days
Activity status
Stale
Clarity
Mostly clear
Newbie friendliness
35/100

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