Crystal Structure Prediction (CSP) De-risks Polymorph Instability by Providing a Deep Insight Into All Stable Forms

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Identifying stable polymorphs is vital for ensuring drug efficacy, stability, and manufacturability. Our XtalGazer™ CSP platform predicts all stable forms and mitigates transition risks to support robust drug development. Recently, our team successfully evaluated the relative stability of Forms A, B, and C of a targeted API across temperatures and determined the crystal structure of Form C—delivering results in just 8 weeks to de-risk the critical solid form selection process.

Our Approach:

  • Predicted low-energy polymorphs including Forms A, B, and C using our high-accuracy CSP platform.
  • Determined Form C’s crystal structure using CSP and validated the predicted structure with our proprietary XRPD indexing algorithm.
  • Evaluated free energy trends and transition temperatures for low-risk solid form selection.

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