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A Novel Method for Inferring Chemical Compounds With Prescribed Topological Substructures Based on Integer Programming.

Jianshen ZhuNaveed Ahmed AzamFan ZhangAleksandar ShurbevskiKazuya HaraguchiLiang ZhaoHiroshi NagamochiTatsuya Akutsu
Published in: IEEE ACM Trans. Comput. Biol. Bioinform. (2022)
Keyphrases
  • integer programming
  • chemical compounds
  • dynamic programming
  • semi supervised