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Shape-Aware Synthon Search (SASS) for Virtual Screening of Synthon-Based Chemical Spaces.

Chen ChengPaul Beroza
Published in: J. Chem. Inf. Model. (2024)
Keyphrases
  • virtual screening
  • similarity searching
  • drug discovery
  • chemical structures
  • similarity search
  • high throughput
  • binding sites
  • pairwise
  • search tools