Accelerating De Novo Drug Design against Novel Proteins Using Deep Learning.
Sowmya Ramaswamy KrishnanNavneet BungGopalakrishnan BulusuArijit RoyPublished in: J. Chem. Inf. Model. (2021)
Keyphrases
- drug design
- deep learning
- protein structure prediction
- protein protein interactions
- unsupervised learning
- drug discovery
- machine learning
- mass spectrometry
- weakly supervised
- high throughput
- human genome
- protein sequences
- early stage
- network topology
- computational methods
- protein complexes
- mental models
- maximum likelihood
- supervised learning
- information retrieval
- functional modules
- data mining