RSpace is built for research across disciplines. For labs that work with chemicals and chemical structures, the tools you need are a core part of the RSpace platform, integrated into research documentation and sample management workflows, and connected to a broad ecosystem of research and research data management tools.
RSpace handles chemical structures as proper research data, not just as attachments or images.
✔ Draw structures and reactions with the integrated open-source Ketcher editor, which supports ChemDraw and other standard formats
✔ Look up and directly import compounds by name, CAS number, or SMILES from PubChem
✔ Search for any structure or substructure across all your documents
✔ Chemical structures are stored with their metadata, versioned, and available in a searchable gallery
✔ Import and export in formats such as ChemDraw (CDX/CDXML), MDL Molfile, SDF, SMILES, InChI, CML, and more
RSpace connects experimental planning to bench work in a single workflow, without separate tools or manual data transfer.
✔ Insert a reaction drawing and let RSpace calculate stoichiometry automatically
✔ Design reaction tables from scratch and add reactants, products, and reagents from your chemicals in RSpace or from PubChem
✔ Link reagents to your inventory so stock levels are visible from within your experimental plan
✔ Deduct stock as you run an experiment, keeping inventory accurate without extra steps
✔ Reaction data and stoichiometry tables are included when you export or share your documents
RSpace chemistry is built on actively developed open-source components.
✔ Built on Ketcher, OpenBabel, and Indigo — widely used open-source chemistry tools
✔ The chemistry engine is part of the open RSpace codebase, open to community contribution
View GitHub
We are working on making chemistry-related metadata available in generalist repositories like Dataverse and domain repositories like Chemotion, so that structures, reactions, and experimental data are more discoverable and actionable.
Do you have a repository, chemistry tool or functionality you would like to see supported? Get in touch!
RSpace offers integrated solutions across your entire research workflow
Collaborative electronic lab notebook with chemistry workflows and an integrated inventory system
Learn about ELN →Mobile-first sample and inventory management with offline field collection and IGSN ID support
Learn about Samples →Unified platform for FAIR data management with comprehensive PID support and tool integration
Learn about Orchestration →