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De novo drug design through gradient-based regularized search in information-theoretically controlled latent space.

Hyosoon JangSangmin SeoSanghyun ParkByung Ju KimGeon-Woo ChoiJonghwan ChoiChihyun Park
Published in: J. Comput. Aided Mol. Des. (2024)
Keyphrases
  • keywords
  • prior knowledge
  • information extraction
  • high throughput
  • drug design