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What’s New in ChemSketch™ Version 2025

New Features and Updates in V2025

Version 2025 of features enhanced recognition for π-complex searching and additions to Dictionary. There are also improvements to CAS SciFindern search and how SMILES and InChI Strings display stereoconfiguration. Read below for details, and contact us for help upgrading your software.

 

Highlighted Features  |  Improved Features |  Data Import & Export

Highlighted Features

Improved Support for π-Complex Search in Spectrus DB

  • Variations in structure designation of π-complexes like ferrocenes are now recognized so they can be searched as one in Spectrus DB
π-complexes exhibit diverse structures due to variations in the metal, ligand and bridging elements involved. These structures are now recognized as one to be searched together in Spectrus DB.
π-complexes exhibit diverse structures due to variations in the metal, ligand and bridging elements involved. These structures are now recognized as one to be searched together in Spectrus DB.

ACD/Dictionary Expanded

  • We added 1700 structures and 13,000 names to Dictionary, including common reagents and catalysts

Improved Features

Include Stereoconfiguration in SMILES and InChI

  • You can now include stereoconfiguration for 3D structures in SMILES, and sequence representations of peptides in InChI
SMILES and InChI strings now indicate stereoconfiguration in drawn structures.
SMILES and InChI strings now indicate stereoconfiguration in drawn structures.

CAS SciFindern Search Reinstated

  • You can search structures and other data in SciFindern from ChemSketch

Copy/Paste to Common Drawing Applications

  • You can now copy/paste data from ChemSketch to EPAM Ketcher and ChemAxon Marvin web applications and vice versa

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