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 to streamline all of your organization's research workflows end-to-end
