MILCDock: Machine Learning Enhanced Consensus Docking for Virtual Screening in Drug Discovery.
Connor J. MorrisJacob A. SternBrenden StarkMax ChristophersonDennis Della CortePublished in: J. Chem. Inf. Model. (2022)
Keyphrases
- drug discovery
- virtual screening
- machine learning
- similarity searching
- data mining
- early stage
- chemical compounds
- machine learning methods
- high throughput
- knowledge discovery
- binding sites
- scientific data
- biological systems
- systems biology
- decision trees
- databases
- data analysis
- data collection
- database
- similarity measure