Route Designer: A Retrosynthetic Analysis Tool Utilizing Automated Retrosynthetic Rule Generation

  title={Route Designer: A Retrosynthetic Analysis Tool Utilizing Automated Retrosynthetic Rule Generation},
  author={James Law and Zsolt Zsoldos and Anik{\'o} Simon and Darryl Reid and Yang Liu and Sing Yoong Khew and A. Peter Johnson and Sarah Major and Robert A. Wade and Howard Y. Ando},
  journal={Journal of chemical information and modeling},
  volume={49 3},
Route Designer, version 1.0, is a new retrosynthetic analysis package that generates complete synthetic routes for target molecules starting from readily available starting materials. Rules describing retrosynthetic transformations are automatically generated from reaction databases, which ensure that the rules can be easily updated to reflect the latest reaction literature. These rules are used to carry out an exhaustive retrosynthetic analysis of the target molecule, in which heuristics are… CONTINUE READING
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