The transformational role of GPU computing and deep learning in drug discovery.
Mohit PandeyMichael FernándezFrancesco GentileOlexandr IsayevAlexander TropshaAbraham C. SternArtem CherkasovPublished in: Nat. Mach. Intell. (2022)
Keyphrases
- deep learning
- drug discovery
- pharmaceutical industry
- unsupervised learning
- early stage
- mental models
- scientific data
- machine learning
- weakly supervised
- virtual screening
- systems biology
- data sets
- biological systems
- data mining
- information extraction
- knowledge discovery
- object recognition
- data mining tools
- discovery process
- learning algorithm