Molecular optimization by capturing chemist’s intuition using deep neural networks

HIGHLIGHTS

• who: Jiazhen He from the (UNIVERSITY) have published the Article: Molecular optimization by capturing chemist’s intuition using deep neural networks, in the Journal: (JOURNAL)
• what: The authors focus on the task of molecular optimization where the goal is to optimize a given starting molecule towards desirable properties. The authors seek to capture the chemist's intuition from matched molecular pairs using machine translation models. The authors compare the two machine translation models based on the SMILES representation with a graph-to-graph translation model HierG2G which has shown the state-of-the-art performance . . .
  

   

  

  If you want to have access to all the content you need to log in!

  Thanks :)

  Username or E-mail:

  If you don't have an account, you can create one here.