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Marcus A Neumann1, Jacco van de Streek
1Avant-garde Materials Simulation, Alte Str. 2, 79249 Merzhausen, Germany. marcus.neumann@avmatsim.eu.
Faraday Discussions
|July 27, 2018
Abstract:
Based on a thorough and critical analysis of the commercial crystal structure prediction studies of 41 pharmaceutical compounds, we conclude that for between 15 and 45% of all small-molecule drugs currently on the market the most stable experimentally observed polymorph is not the thermodynamically most stable crystal structure and that the appearance of the latter is kinetically hindered.
