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FaissMolLib: An efficient and easy deployable tool for ligand-based virtual screening.

Haihan LiuPeiying ChenBaichun HuShizun WangHanxun WangJiasi LuanJian WangBin LinMao-Sheng Cheng
Published in: Comput. Biol. Chem. (2024)
Keyphrases
  • virtual screening
  • drug discovery
  • chemical structures
  • similarity searching
  • high throughput
  • binding sites
  • scoring function
  • data mining
  • nearest neighbor
  • graphical models