ScaffoldGVAE: scaffold generation and hopping of drug molecules via a variational autoencoder based on multi-view graph neural networks.
Chao HuSong LiChenxing YangJun ChenYi XiongGuisheng FanHao LiuLiang HongPublished in: J. Cheminformatics (2023)
Keyphrases
- multi view
- neural network
- chemical compounds
- single view
- multiple views
- depth map
- d objects
- multiple cameras
- three dimensional
- camera calibration
- semi supervised
- range images
- co training
- drug discovery
- view synthesis
- multiple viewpoints
- multi view face detection
- scene reconstruction
- multi view stereo
- bundle adjustment
- multi view images
- multi view clustering
- stereo matching
- human body
- unsupervised learning
- optical flow
- image segmentation