AtomNet: A Deep Convolutional Neural Network for Bioactivity Prediction in Structure-based Drug Discovery.
Izhar WallachMichael DzambaAbraham HeifetsPublished in: CoRR (2015)
Keyphrases
- drug discovery
- drug design
- convolutional neural network
- subcellular localization
- chemical compounds
- pharmaceutical industry
- virtual screening
- early stage
- structural properties
- systems biology
- scientific data
- data mining
- discovery process
- neural network
- data mining tools
- complex systems
- object recognition
- social networks