bingo.getsimilarity generate wrong similarity
- Dominant language
- C++
- Stars
- 406
- Forks
- 134
- Avg merge
- 2d 11h
- Merged PRs (30d)
- 24
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