SMILES-BERT: Large Scale Unsupervised Pre-Training for Molecular Property Prediction.
Sheng WangYuzhi GuoYuhong WangHongmao SunJunzhou HuangPublished in: BCB (2019)
Keyphrases
- supervised learning
- prediction model
- prediction accuracy
- supervised training
- training set
- real world
- drug design
- data driven
- training algorithm
- training phase
- unsupervised learning
- protein function prediction
- training examples
- small scale
- training process
- prediction algorithm
- unsupervised manner
- real life
- three dimensional
- multi layer perceptron
- deep architectures
- protein structure prediction
- serious games
- prediction error
- training samples
- object detection
- data mining