Chemistry

Centralize your research, reaction development, and experimental documentation in a single collaborative environment. Our Chemistry ELN combines advanced reaction management, inventory integration, and secure data traceability to support your R&D activities from idea to results.

Key Features :

• Integrated Chemistry Workflow Create, edit, and document reactions in a unified environment with fully re-editable reaction schemes.
• R&D Notebook Management Organize experiments, protocols, and research projects within a structured electronic notebook tailored for chemistry laboratories.
• Advanced User Permissions Control access rights for viewing, editing, approving, and electronically signing experiments and research records
• Inventory-Connected Reactions Link reagents and products directly to your chemical inventory for complete traceability and stock visibility.
• Reaction Templates Create reusable reaction templates to standardize experimental procedures and accelerate project setup.
• Smart Chemical Data Import Import ChemDraw (CDXML) files via drag-and-drop or paste reaction SMILES directly into the workbench.
• Real-Time Stoichiometry Calculations Automatically calculate molecular weights, molar quantities, concentrations, limiting reagents, and reaction yields.
• Full Traceability Synchronize reactions with your Chemical Structures database to maintain a complete history of materials and experiments.

Benefits for Your Laboratory:

• Accelerate Research Activities Spend less time on administrative tasks and more time on scientific innovation.
• Improve Organization and Collaboration Centralize experimental data and standardize workflows across teams.
• Optimize Inventory Management Connect experiments to inventory records and simplify stock monitoring and reagent tracking.
• Enhance Data Retrieval and Knowledge Sharing Quickly search, access, and reuse experimental data and reaction protocols.
• Strengthen Compliance and Quality Management Improve data integrity, traceability, and audit readiness throughout your R&D processes.

Illustrator AI

The new Illustration Editor in LabCollector ELN enables researchers to create publication-ready scientific figures without leaving their electronic lab notebook. Users can either generate illustrations from natural language prompts using AI or assemble fully editable diagrams from a library of science-specific stencils. By keeping figure creation directly within the ELN, the feature eliminates the need for external design tools, maintains the connection between illustrations and experimental data, and streamlines scientific documentation. This integrated workflow saves time while improving the clarity and quality of research communication.

• – Generate publication-ready scientific illustrations from simple text prompts using AI.
• – Build editable figures with a comprehensive library of science-specific stencils.
• – Create and modify diagrams directly within the LabCollector ELN environment.
• – Keep illustrations linked to experiments for easier documentation and traceability.
• – Improve productivity by reducing reliance on external graphic design software.

How It Works

• 1.Open the Reaction Workbench directly from your ELN toolbar.
• 2.Draw new structures or select compounds from your existing chemical inventory.
• 3.Define reagents and reaction conditions while automatic stoichiometry calculations are performed in real time.
• 4.Save the reaction as an editable scheme within your experiment record.
• 5.Reuse validated reactions and templates across future projects.

Technical Requirements

• Requires the ELN Chemistry / ChemTools module.
• Runs entirely in your web browser with no additional plugins or desktop software.
• Powered by the integrated MolEdit engine for chemical structure analysis and reaction management.

Note: The Reaction Workbench replaces legacy molecule tools. Existing reactions remain accessible in view-only mode, while all newly created reactions benefit from full editing capabilities, inventory connectivity, and enhanced traceability.

Ensure Quality & Efficiency

Unlike other LIMS, LabCollector manages chemicals but it also:

• Manages Equipment
• Manages Data
• Manages Documents
• Easily Configurable by Lab Staff
• Handles all information in the lab as well as relationships between these records

• Import chemical structures (MOL, CDX, SD formats)
• Unique ID for each data entry
• Add spectrum data in JDX format – NMR, IR, MS etc.
• PDB structures support
• Molecule and reaction designer
• Substructure search (optional)
• Chemical reactions designer in our ELN

• Customize the database modules, fields and search filters
• Full bacode support for quick identification and label printing
• Mass import and updates
• Manage lab inventory
• Easily combines and links to other parts of LabCollector to search and catalog based on protocols, patents, experimental data and more
• Complex search & filter of in house information facilitates rapidly transitioning from finding information to doing experiments

MolSearch is LabCollector’s built-in molecular structure search engine. Instead of hunting by name, CAS number, or catalog reference, researchers can draw a molecule or paste a SMILES string and instantly find every matching compound stored in their LabCollector database. It runs entirely within your LabCollector instance — no external service, no data leaving your server — and works across both Windows and Linux deployments.
Contact us for a demo >>

• Search by structure, not just text.Find compounds by their actual chemistry, catching entries that inconsistent naming or typos would otherwise hide.
• Exact and substructure matching.Locate a specific molecule, or retrieve every record that contains a given scaffold, functional group, or fragment.
• Draw-to-search.Sketch a query structure in the built-in molecular editor, or enter a SMILES directly.
• Works across your inventory and notebooks.Searches the chemical structures held in LabCollector, and is reused by the ELN add-on so structures in your electronic lab notebook are searchable too.
• Standards-based and self-contained.Understands common cheminformatics formats (SMILES, MOL/SDF) and keeps its structure index up to date automatically no manual reindexing.

Compatible with

eMolecules is the industry’s leading chemical search-and-fulfillment platform, providing real-time access to the world’s largest and most diverse chemical space. eMolecules – founded in 2005 with a vision to reduce drug discovery timelines through improved efficiencies in the compound search and acquisition process. This led to the creation of the industry’s most powerful, reliable and accurate digital chemical search engine directly connecting chemists to the world’s largest readily-available chemical space. Read more

and any other suppliers! Read more

Testimonial

“Extremely responsive and helpful”

We spent years looking for a decent sample management software. Some of the key requirements that LabCollector meet include:

• It is a web-based solution
• The software can be implemented in house instead of being hosted by a third party

LabCollector even goes beyond this set of requirements. It is progressively becoming a central hub for all our laboratory information.The use of a standard database (MySQL) makes it possible to access the data without going through the user interface when needed. Customer support is top notch. They are extremely responsive and helpful. We really feel that we get personal attention.

To conclude, it is a very positive experience. This product has managed to fill a niche between desktop biobanking solutions and enterprise-class LIMS systems. It is a great LIMS that meets the needs of many academic research groups, institutes, and biotech companies.

– Jean Peccoud – Associate Professor at Virginia Tech, University in Blacksburg, Virginia, USA