Crystal Structure Prediction to Maximize Your Experimental Formulation Design

OpenEye White Paper

Using Computational Crystal Structure Prediction to Optimize Small Molecule Drug Formulation

Key Points

  • Computational crystal structure prediction (CSP) is a valuable tool to identify small molecule drug candidates with desirable solid properties
  • OpenEye’s proprietary method and highly parallelizable approach makes this an accurate and practical tool for screening a large number of molecules
  • Blind and semi-blind challenges of the method were validated with drug-like molecules from GlaxoSmithKline

Estimated Reading Time: 15 minutes


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