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Application of variational graph encoders as an effective generalist algorithm in computer-aided drug design.

Hilbert Yuen In LamRobbe PincketHao HanXing Er OngZechen WangJamie HinksYanjie WeiWeifeng LiLiangzhen ZhengYuguang Mu
Published in: Nat. Mac. Intell. (2023)
Keyphrases
  • computer aided
  • high accuracy
  • data mining
  • image segmentation
  • dynamic programming
  • combinatorial optimization
  • structural properties
  • computer aided design
  • drug design