Aliaksandr Dziarkach

Results 17 comments of Aliaksandr Dziarkach

Aromatize/Dearomatize doesn't work for Phenylalanine mustard (Aromatic molecule from Template Library)

It is not a query-specific issue

Aromatize/Dearomatize doesn't work for Phenylalanine mustard (Aromatic molecule from Template Library)

Minimal structure to reproduce: ``` Ketcher 1252418 82D 1 1.00000 0.00000 0 2 2 0 0 0 0 0 0 0 0999 V2000 14.5296 -8.8010 0.0000 C 0 0 0...

Aromatizing bond custom query fails with error

Custom query should contain valid smarts atom definition.

Dearomatize doesn't work for aromatized vitamin b12 and Chlorophyll A (may be because their aromatization was wrong?)

It is not a query-specific issue

Add/Remove explicit hydrogens feature changes R special atom (pseudoatom) to R# (that is invalid)

It is not a query-specific issue

`IndigoException: molecule: invalid connectivity given: -1` when ionizing ChEMBL SMILES

Error occured only after ```python indigo.setOption("pKa-model", "advanced") ``` Whithout this options - no error occured

`IndigoException: molecule: invalid connectivity given: -1` when ionizing ChEMBL SMILES

Current realization cannot ionize molecule in advanced mode if it contains any aromatic atom. Please use dearomatize before ionize.