Diff4VS: HIV-inhibiting Molecules Generation with Classifier Guidance Diffusion for Virtual Screening.
Jiaqing LyuChangjie ChenBing LiangYijia ZhangPublished in: CoRR (2024)
Keyphrases
- virtual screening
- drug discovery
- chemical structures
- chemical compounds
- scoring function
- training data
- similarity searching
- decision trees
- feature set
- early stage
- systems biology
- feature space
- biological systems
- scientific data
- feature selection
- data mining
- database
- data sets
- binding sites
- graphical models
- pairwise
- discovery process
- training set