When drug discovery meets web search: Learning to Rank for ligand-based virtual screening.
Wei ZhangLijuan JiYanan ChenKailin TangHaiping WangRuixin ZhuWei JiaZhiwei CaoQi LiuPublished in: J. Cheminformatics (2015)
Keyphrases
- virtual screening
- learning to rank
- web search
- ranking functions
- drug discovery
- scoring function
- web search engines
- search engine
- similarity searching
- information retrieval
- chemical compounds
- loss function
- early stage
- binding sites
- document retrieval
- web pages
- scientific data
- systems biology
- data mining
- discovery process
- data mining tools
- biological systems
- supervised learning
- metric space
- decision trees
- similarity search
- retrieval systems
- test collection