Automated 3D Pre-Training for Molecular Property Prediction.
Xu WangHuan ZhaoWei-Wei TuQuanming YaoPublished in: KDD (2023)
Keyphrases
- training set
- prediction accuracy
- fully automated
- prediction model
- computer assisted
- drug design
- multi layer perceptron
- prediction error
- training examples
- training samples
- supervised learning
- real time
- three dimensional
- training phase
- semi automated
- data sets
- computer aided
- radial basis function
- object detection
- support vector machine
- serious games
- training process
- e learning
- radial basis function network
- prediction algorithm