LabSketch

The Labii LabSketch Chemical Drawing widget allows users to quickly draw and annotate basic chemical structures and reactions directly within Labii’s ELN and LIMS applications.

Overview

The Labii LabSketch Chemical Drawing widget integrates Indraw, a lightweight, browser-based molecular editor developed by Integle, into the Labii platform. This widget allows users to quickly draw and annotate basic chemical structures and reactions directly within Labii’s ELN and LIMS applications. Designed for speed, simplicity, and accessibility, LabSketch is ideal for quick sketches, educational purposes, and use in resource-constrained environments. It supports export to standard formats like SMILES and MOL, enabling seamless documentation, data sharing, and integration with chemical analysis tools across Labii’s customizable research workflows.

Use Cases

• Quick Molecular Sketching: Easily draw basic chemical structures and reactions for fast documentation within experiment entries.

• Open Access Drawing: Use a free and lightweight alternative to commercial editors without requiring additional installations or licenses.

• Export for Integration: Export structures as SMILES or MOL for downstream use in databases, analysis tools, or chemical inventory systems.

• Visual Annotation: Add simple chemical illustrations to support experiment descriptions or communication between team members.

Settings

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

Interface

The LabSketch platform provides an intuitive chemical editing interface equipped with various tools to enhance the user's experience. At the core of this interface is the AI prompt input box, designed to facilitate the seamless generation of chemical structures through artificial intelligence. Users have the convenient option to save their work, ensuring their data is securely stored for future reference. The platform also features a substructure search, allowing users to delve deep into specific parts of a chemical structure to explore intricate details. Additionally, there is a similarity search function that enables users to find chemical structures that are akin to the one they are working with, making it easier to identify comparable compounds. To further streamline the process, a drag and drop box is available, allowing users to quickly import any existing chemical structures they wish to work on, significantly cutting down on setup time and improving workflow efficiency.

Generating chemical structure with AI

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Substructure search

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Similarity search

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