A D3R prospective evaluation of machine learning for protein-ligand scoring.
Jocelyn SunseriMatthew RagozaJasmine CollinsDavid Ryan KoesPublished in: J. Comput. Aided Mol. Des. (2016)
Keyphrases
- machine learning
- artificial intelligence
- drug discovery
- natural language
- drug design
- machine learning methods
- computer vision
- virtual screening
- learning tasks
- pattern recognition
- comparative evaluation
- subcellular localization
- similarity searching
- evaluation model
- evaluation method
- machine learning algorithms
- text classification
- computational intelligence
- supervised learning
- knowledge representation
- computer science