Kekule

The Labii Kekule Chemical Drawing widget provides a lightweight, open-source solution for drawing and editing chemical structures directly within the Labii platform.

Overview

The Labii Kekule Chemical Drawing widget provides a lightweight, open-source solution for drawing and editing chemical structures directly within the Labii platform. Built on the Kekule.js framework, this widget allows users to create 2D molecular structures, reactions, and formulas with intuitive drag-and-drop functionality. Ideal for researchers seeking a streamlined alternative to commercial editors, the widget supports exporting structures in formats like SMILES and MOL, ensuring compatibility with chemical databases and analysis tools. It’s a flexible and efficient option for documenting molecular information in Labii’s ELN, LIMS, or inventory applications.

Use Cases

• Molecular Sketching: Quickly draw and visualize 2D chemical structures as part of experiment records or molecular design workflows.

• Open-Source Alternative: Utilize a free, lightweight chemical editor for teams or institutions that prefer non-commercial tools.

• Reaction Annotation: Document chemical reactions by illustrating reactants, products, and reagents within experiment entries.

Settings

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

Interface

The Kekule Chemical Drawing widget offers an advanced interface designed to streamline the creation and manipulation of chemical structures. This sophisticated platform includes several key components:

• Chem Composer: A powerful tool within the widget, the Chem Composer facilitates the detailed construction and editing of chemical structures, offering a versatile workspace for both novice and experienced chemists.

• AI Prompt Input Box: This feature allows users to generate chemical structures through text-based instructions. By inputting specific prompts, users can swiftly create complex molecular designs, enhancing productivity and innovation.

• Save Functionality: Users can easily save their chemical diagrams and data, ensuring that all progress and modifications are securely preserved for future reference and application.

• Substructure Search: This tool enables users to locate specific substructures within a larger chemical compound, making it easier to analyze and identify components within complex molecules.

• Similarity Search: By utilizing this function, users can find and compare chemical structures that exhibit similar properties or configurations, facilitating the exploration of related substances.

• Drag and Drop Box: The widget supports a convenient drag-and-drop feature for importing chemical structure files, allowing quick integration from external sources. This enhances the user experience by providing an efficient method to access and work with existing molecular data.

Together, these features combine to create a comprehensive and user-friendly environment for chemists to explore and visualize chemical structures with precision and ease.

Generating chemical structure with AI

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Substructure search

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Similarity search

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