ChemDraw

The Labii ChemDraw Chemical Drawing widget allowing users to upload, view, and store complex chemical structures created using the industry-standard ChemDraw software.

Overview

The Labii ChemDraw Chemical Drawing widget enables seamless integration of ChemDraw files (.cdx) into the Labii platform, allowing users to upload, view, and store complex chemical structures created using the industry-standard ChemDraw software. This widget is ideal for researchers who rely on ChemDraw for advanced molecular editing and prefer to maintain high-fidelity chemical diagrams within their electronic lab notebook or data management system.

Marvin JS License required!

Use Cases

• High-Fidelity Structure Storage: Upload and preserve detailed ChemDraw (.cdx) files with precise formatting, annotations, and chemical accuracy.

• Integration with Existing Workflows: Maintain continuity for researchers who use ChemDraw as their primary molecular editor outside of Labii.

• Advanced Molecular Diagrams: Store complex reaction schemes, mechanisms, or biological annotations not easily replicated in browser-based editors.

Settings

The widget functions out-of-the-box without requiring additional configuration.

Interface

The ChemDraw widget features an intuitive interface designed to streamline chemical structure management and manipulation. Within the interface, users can directly access the ChemDraw platform, which provides robust tools for creating and editing chemical structures. An AI-powered prompt input box is included, allowing users to effortlessly generate new chemical structures using advanced algorithms. Additionally, the widget offers a convenient 'Save' button, enabling users to preserve their work efficiently.

For researchers and chemists looking to perform comprehensive data analysis, the substructure search and similarity search functionalities stand out. These tools facilitate quick and accurate identification of chemical structures based on specific requirements or degree of similarity to target molecules, enhancing research capabilities significantly.

Moreover, the drag and drop box functionality allows users to seamlessly import chemical structure files by simply dragging them into the designated area, enhancing the ease of integrating external data into the ChemDraw environment. Overall, the ChemDraw widget’s inclusive feature set makes it an indispensable tool for modern chemical research and applications.

Generating chemical structure with AI

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Substructure search

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Similarity search

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