Macfrag: segmenting large-scale molecules to obtain diverse fragments with high qualities

HIGHLIGHTS

• who: Bioinformatics and colleagues from the Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology, Shanghai have published the research work: MacFrag: segmenting large-scale molecules to obtain diverse fragments with high qualities, in the Journal: (JOURNAL)
• what: The MacFrag method proposed in this study could enumerate the fragment space of molecules in a highly efficient manner, implying its potential for the segmentation of large-scale database, especially those containing large molecules.
• how: This Article presents a new method MacFrag for efficient molecule fragmentation. The . . .
  

   

  

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