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Overview: Hydrogen Bond Propensity analysis in CSD software - predict hydrogen bond formation

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September 1, 2023

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  • Here we demonstrate the Hydrogen Bond Propensity component in CSD-Materials. It allows you to build a statistical model of the probability of formation of hydrogen bond pairs based on the donors, acceptors, environment of functional groups, and relevant experimentally observed structures from the Cambridge Structural Database (CSD). This forms part of an overall solid form assessment, analysing the stability and properties of a solid crystalline material such as pharmaceuticals, agrochemicals or functional materials. Learn more about other ways you can assess solid form materials with CSD-Materials software here: https://www.ccdc.cam.ac.uk/solutions/csd-materials/

    ChemistryDrug Discovery

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