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Explore our structural chemistry software here, to support research in drug discovery, particle behaviour, solid form analysis and functional materials design, all using the world’s largest crystal structure database: the Cambridge Structural Database (CSD).
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Our mission is to advance structural science for the public benefit — here you can explore and access our free data, software, training support and educational resources.
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See how CSD data and software have been applied through case studies, webinars, white papers and more.
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With over 50 years at the forefront of structural chemistry, you’re in safe hands with CCDC Consultancy.
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As well as providing data and software, we also conduct research and regularly publish on topics around structural chemistry and data science, collaborating with leading researchers, in both academia and industry.
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Helping you get the most out of the CSD data and software, use these pages to get support, find licensing information, view documentation and other resources, and download software.
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Learn more about the CCDC, including how to work with us, donate to our charitable mission or get in touch.
Explore our structural chemistry software here, to support research in drug discovery, particle behaviour, solid form analysis and functional materials design, all using the world’s largest crystal structure database: the Cambridge Structural Database (CSD).
Our mission is to advance structural science for the public benefit — here you can explore and access our free data, software, training support and educational resources.
See how CSD data and software have been applied through case studies, webinars, white papers and more.
With over 50 years at the forefront of structural chemistry, you’re in safe hands with CCDC Consultancy.
As well as providing data and software, we also conduct research and regularly publish on topics around structural chemistry and data science, collaborating with leading researchers, in both academia and industry.
Helping you get the most out of the CSD data and software, use these pages to get support, find licensing information, view documentation and other resources, and download software.
Learn more about the CCDC, including how to work with us, donate to our charitable mission or get in touch.
Search technical FAQs covering everything from system requirements and installation, to how specific analyses work.
Go to FAQsSearch for molecular crystal structures in the Cambridge Structural Database by keyword, reference, and more.
Go to the CSDPredict the particle shape by predicting which facets are available.
Communicate the distribution of H-bond donors and acceptors on the surface with clear, colour-coded graphics. See the potential causes of wettability, stickiness, flow, and electrostatic issues easily.
Determine mechanical properties and guide formulation choices to support better tabletting, flow, and milling.
Gain insights into wettability, tabletability, flow, and sticking by understanding the interactions at the particle surface.
Calculate and visualize full interaction maps (FIMs) on the surface, showing the positions a given probe is most likely to interact. Change probes to explore interaction types. For example, assess hydrophilicity with the water oxygen probe, or hydrophobicity with methyl carbon.
Explore system shape and stability and see how internal bonding impacts surface termination and exposed groups on a given facet.
Assess hydrogen bonding dimensionality, and how discreet, 3D, or sheet hydrogen bonding impacts the mechanical properties of your product.
See surface roughness in clear, 3D graphics.
Compare facets, particles, or structures easily by quantifying the density of H-bond donors, acceptors, aromatic bonds, unsatisfied H-bond donors, RMSD, surface area, rugosity, kurtosis, and skewness.
Access all these features in the CSD Python API for fully customizable analyses.
By understanding the mechanical and chemical properties of your product, potential issues in wettability, flow or sticking, tabletability, and electrostatic interactions can be identified at an early stage. Explore how the formulation and solid form impacts these properties computationally, to reduce costs and understand your product earlier.
Visual and numerical results are possible. Examine surface chemistry, topology, and interactions through interactive 3D visualizations. Quickly compare facets, particles, or structures by quantifying the density of H-bond donors, acceptors, aromatic bonds, unsatisfied H-bond donors, RMSD, surface area, rugosity, kurtosis, and skewness.
The analytical tools in CSD-Particle can be accessed through our desktop program Mercury, or via the CSD Python API. The functions are available to all academic researchers, non-academic users require a CSD-Particle licence—contact us here to request a quote, demo, or trial.