VRS_012 - Integrating graph convolutional networks and computational chemistry for pharmaceutical multicomponent crystal prediction and classification

• At: Copenhagen (Denmark) (2025)
• Type: Poster
• Poster code: VRS_012
• By: DENG, Yuehua
• Co-author(s): Dr Yuehua Deng ( / )
  B.Sc. Fanyu Zhao
  Dr. Xinliang Zhou
  Prof. Shing Fung Chow ( / )
  
• Abstract:

  Introduction
  Multicomponent crystals (MCCs), including cocrystals, salts, hydrates, solvates and their inherently overlapping constituents (e.g., cocrystal hydrates, salt solvates), offer significant potential for optimising the physicochemical properties of active pharmaceutical ingredients (APIs), including solubility, stability, and..

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