Automated 3D Pre-Training for Molecular Property Prediction.
Xu WangHuan ZhaoWeiwei TuQuanming YaoPublished in: CoRR (2023)
Keyphrases
- prediction accuracy
- prediction model
- three dimensional
- training examples
- multi layer perceptron
- radial basis function network
- semi automated
- training phase
- prediction error
- computer aided
- prediction algorithm
- feed forward neural networks
- real time
- test set
- supervised learning
- neural network
- fully automated
- statistically significant
- online learning
- object detection