Roles and opportunities for machine learning in organic molecular crystal structure prediction and its applications

HIGHLIGHTS

• who: Rebecca J. Clements from the (UNIVERSITY) have published the Article: Roles and opportunities for machine learning in organic molecular crystal structure prediction and its applications, in the Journal: (JOURNAL)
• what: Although many of the same challenges exist for other types of crystalline materials, the authors focus the discussion on organic molecular CSP. The approach was demonstrated for the identification of crystalline phases of hydrogen from CSP at high pressure and identified magnetically stabilizable phases of oxygen. This approach has been demonstrated for molecular discovery of drug-like and other small organic molecules .
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