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Pipeline Pilot Chemistry is inheriting many new chemical representations from the Accelrys Direct data model. These include the support of the Self Contained Sequence Representation (SCSR) biologics, enhanced Markush structure representations, Markush homology groups and Non Specific Structures (NONS). PPChem’s current support for Sgroups, and in particular polymers, mixtures, and formulations is significantly enhanced.
Depiction is also being upgraded to support these new features and enhancements, and the general aesthetics of depiction is improved.
The stereochemical perception, and ring perception capabilities of the Direct data model are superior to those currently offered in PPChem and are being incorporated. Changes to stereochemistry and ring perception may impact your calculators and models. We will report our findings on the magnitude of the changes.
A major benefit of these changes is that Direct and PPChem will use the same data model. This means that searches carried out in Direct or in PPChem will return identical results and both products will deliver identical structural perceptions.