Hybrid-enhanced siamese similarity models in ligand-based virtual screen

HIGHLIGHTS

  • who: Mohammed Khaldoon Altalib and Naomie Salim from the School of Computing, Universiti Teknologi Malaysia, Johor Bahru, Malaysia Computer Science Department, Education for Pure Science Collage, University of Mosul, Mosul, Iraq have published the paper: Hybrid-Enhanced Siamese Similarity Models in Ligand-Based Virtual Screen, in the Journal: Biomolecules 2022, 12, 1719. of /2022/
  • what: The aim of this work is to improve the retrieval efficiency of molecular similarity searching, especially with structurally heterogeneous molecules, by incorporating two enhanced Siamese deep learning similarity models in one hybrid model. The authors evaluate the search methods for . . .

     

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