Scaling machine learning for target prediction in drug discovery using Apache Spark.
Dries HarnieMathijs SaeyAlexander E. VapirevJörg Kurt WegnerAndrey GedichMarvin N. SteijaertHugo CeulemansRoel WuytsWolfgang De MeuterPublished in: Future Gener. Comput. Syst. (2017)
Keyphrases
- drug discovery
- machine learning
- drug design
- subcellular localization
- pharmaceutical industry
- chemical compounds
- data mining
- virtual screening
- machine learning methods
- early stage
- scientific data
- knowledge discovery
- data mining tools
- data analysis
- sensor networks
- database
- biological systems
- decision trees
- learning algorithm
- natural language processing
- similarity searching
- feature selection
- databases