Bingo occasionally matching the substitution of (OH) group with aromatic smiles

[Pavlo Musienko]

Hello all!

Looks like bingo 'occasionally' matches the substitution of (OH) group
under SearchSub query with explicit hydrogens in aromatic smiles i.e.
the SearchSub with '[H]Oc1ccccc1' occasionally matches for example the
following structure
'C=CC1(O)CN2CCC1CC2C(O)C1=C2C=C(OC)C=CC2=NC=C1' (1) , which obviously
he shouldn't. With kekulized smiles ('[H]OC1=CC=CC=C1' or
'C1(=CC=CC=C1)O[H]' ) the previous structure is not matched, which is
correct.
Here is the sequence of actions:
1. Run the SearchSub query with kekulized smiles '[H]OC1=CC=CC=C1'
that does not match the structure (1)
2. Run the SearchSub query with aromatic smiles '[H]Oc1ccccc1' that
does not match the structure (1)
3. Run the SearchSub query with kekulized smiles 'C1(=CC=CC=C1)O[H]'
that does not match the structure (1)
4. Run the SearchSub query with aromatic smiles '[H]Oc1ccccc1' that
DOES match the structure (1)


I am looking forward to your comments.

Best regards,
Pavlo Musienko

P.S. (bingo 1.5b, MS SQL Server R2 2008 Express)

[Michael Rybalkin]

Hello Pavlo!

Thank you very much for reporting about it with the sequence of
actions. It was
serious bug. I have reproduced it and fixed it. Now you can download
fixed version
from our site.

With best regards,
Mikhail Rybalkin

[Pavlo Musienko]

Hello Mikhail!

Thank you for fixing this bug! Works fine!

Best regards,
Pavlo Musienko