ChemAssist - BETA

Chemistry Registry with structure drawing
Add chemical structures directly to sample records using a dedicated Chemical Structure field. Visualize molecules clearly and build relationships between compounds using parent and lineage features.

Chemical structure visualization
View rendered chemical structures directly in the registry and ELN, making it easier to identify compounds at a glance without relying solely on names or properties.

Advanced structure-based searching
Quickly screen your chemical registry using:

• Similarity search (percentage-based)
• Substructure search
• Exact structure search

SMILES integration
Import, search, and reference molecules and reactions using SMILES structures—supporting efficient registry management and reaction lookup.

Reaction drawing and analysis
Create complex chemical reactions using integrated structure drawing powered by ChemAxon MarvinJS. Automatically generate reaction tables that:

• Sync with IUPAC and CAS naming
• Calculate molecular weight
• Support structure–activity relationship (SAR) analysis
• Enable future integration with registry and inventory workflows

Ideal For

• Chemistry and medicinal chemistry labs
• Teams managing compound libraries and derivatives
• Researchers working with structure-based discovery and SAR analysis

Important Notes

• A MarvinJS license is required to use this add-on.
• The beta version is available only for dedicated installations.
• Trials are not available in the Public Cloud environment.

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