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SELF-EdiT: Structure-constrained molecular optimisation using SELFIES editing transformer.

Shengmin PiaoJonghwan ChoiSangmin SeoSanghyun Park
Published in: Appl. Intell. (2023)
Keyphrases
  • genetic algorithm
  • structural properties
  • three dimensional
  • tree structure
  • structural information
  • real time
  • data sets
  • machine learning
  • optimisation algorithm