Graph Neural Networks with Multi-features for Predicting Cocrystals using APIs and Coformers Interactions.

Journal: Current medicinal chemistry
PMID: 38847382

Abstract

INTRODUCTION: Active pharmaceutical ingredients (APIs) have gained direct pharmaceutical interest, along with their in vitro properties, and thus utilized as auxiliary solid dosage forms upon FDA guidance and approval on pharmaceutical cocrystals when reacting with coformers, as a potential and attractive route for drug substance development.

Authors

  • Medard Edmund Mswahili
    Department of Computer Engineering, Chungbuk National University, Cheongju, 28644, South Korea.
  • Kyuri Jo
    Department of Computer Engineering, Chungbuk National University, Cheongju, 28644, South Korea.
  • SeungDong Lee
    Department of Computer Engineering, Chungbuk National University, Cheongju, 28644, South Korea.
  • Young-Seob Jeong
    SCH Media Labs, Soonchunhyang University, Asan 31538, Korea.

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