Description

Areas Affected

Risk Level

Jira ID

Updated the Pipeline Pilot 2022 SP1 HF1 installer to enable the installation of the Chemistry SDK package as part of the server installation when the PP Chemistry SDK feature is included in the license file.

PCHE: Molecular API

Low

PCHE-8595

Take into account relative stereo groups (enhanced stereo) in the perception of meso symmetry. Molecules that would have been classified as meso are no longer perceived as meso if they have enhanced stereo. This change affects the Meso Chirality component and PPChem SDK meso APIs, as well as the chiral labels display in molecular depictions.

PCHE: Chemical Perception

Medium

PCHE-8599

Take into account relative stereo groups (enhanced stereo) in the perception of meso symmetry. Molecules that would have been classified as meso are no longer perceived as meso if they have enhanced stereo. This change has implications for Exact and Flexmatch searches that take into account stereo, as molecules with enhanced stereo that were perceived as meso before are now considered chiral and might not match similar molecules with different stereo.

PCHE: Chemical Perception

Medium

PCHE-8613

Severity

Description

Areas Affected

Risk

Defect

Major

A problem perceiving aromaticity of six-member rings containing atoms such as Sulfur or Phosphorus with alternating single and double bonds has been corrected. In previous releases, the perceived aromaticity could depend on the positioning of the double bonds. Now, the aromaticity is perceived identically, regardless of their positions. A previous fix in the 2019 release has a partial fix for the same issue.

PCHE: Chemical Perception

Low

PCHE-8596

Minor

Fixed an inconsistency where in rare cases the Meso Chirality component can report an "invalid index value" depending on the order in which records are submitted.

PCHE: Chemical Perception, PCHE: Query Mapping

Low

PCHE-8610