CSD-Particle — analyse particle behaviour, anticipate issues from tabletability, wettability & more

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CCDC

With CSD-Particle you can anticipate manufacturing bottlenecks and guide formulation decisions with a deep understanding of particle behaviour. Suitable for pharmaceutical or other fine chemical solid form manufacturing. Rapidly analyse chemical and mechanical properties of crystalline particles with visual and statistical tools. Learn more and request a demonstration at https://www.ccdc.cam.ac.uk/solutions/software/csd-particle/ • Predict the particle shape by predicting which facets are available. • Visualize surface chemistry and charge. • See 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. • Identify slip planes • Determine mechanical properties and guide formulation choices to support better tabletting, flow, and milling. • 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.