CCDC




CSD Solid Form Suite: Knowledge based development and risk assessment

The CSD Solid Form Suite provides knowledge-based informatics tools for improving effectiveness, quality and risk assessment in the development of solid formulations of drugs, agrochemicals and molecular materials.

  • Addressing development needs: Developed with a consortium of major pharmaceutical and agrochemical companies, the CSD Solid Form Suite includes predictive analytics methods that exploit the vast wealth of structural knowledge in the Cambridge Structural Database (CSD). The CSD Solid Form Suite is designed to integrate neatly into a lab chemist's workflow and presents results in a form that supports form screening, selection and risk assessment.
  • Polymorphism risk assessment: The new Hydrogen Bond Propensity tool helps scientists to quantify the risk of polymorphism allowing them to make informed decisions on which crystalline form to develop. This tool, applied to known crystal structures and even 2D renditions of a molecular structure, can inform the experimental screening and selection of drug crystal forms, the first step towards ensuring Quality by Design.
  • Analysis of solid forms: Scientists can readily quantify similarities and differences between polymorphs, hydrates and solvates, identify regions of structural similarity, and understand the strengths and weaknesses of structures by searching for extended functional group interaction motifs or general packing features, quickly and easily

The CSD Solid Form Suite is available as part of the 2012 release of the CSD System. Academic institutions - access at no additional cost with the 2012 CSDS release. Industrial organisations should contact admin@ccdc.cam.ac.uk.

Propensity/participation chart for Temozolomide
Results of a Mercury
motif search for carboxylic acid dimers, amide dimers and carboxylic-amide dimers.
Results of a crystal 
packing similarity search on the carbamazepine refcode family.




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