Crystal structure prediction (CSP) has been a vital part of the mission of XtalPi, an artificial intelligence and quantum physics based pharmaceutical technology company aiming to improve the speed, scale, novelty, and success rate of drug discovery and development. 

Chandler Greenwell, an applications scientist at XtaPi, shares how CSP is revolutionizing the field. 

We discuss:

How polymorphism relates to CSP

Insights that CSP can provide for de-risking the polymorph landscape

Future applications for CSP 

Resources mentioned during the podcast:

Facts and fictions about polymorphism 

Why don’t we find more polymorphs? 

Report on the sixth blind test of organic crystal structure prediction methods 

Harnessing Cloud Architecture for Crystal Structure Prediction Calculations 

Prediction of the Relative Free Energies of Drug Polymorphs above Zero Kelvin 

Selecting a stable solid form of remdesivir using microcrystal electron diffraction and crystal structure prediction 

Virtual Coformer Screening by Crystal Structure Predictions: Crucial Role of Crystallinity in Pharmaceutical Cocrystallization 

Guiding Lead Optimization for Solubility Improvement with Physics-Based Modeling 

Email Chandler: [email protected]  

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