A fingerprints based molecular property prediction method using the BERT model.
Naifeng WenGuanqun LiuJie ZhangRubo ZhangYating FuXu HanPublished in: J. Cheminformatics (2022)
Keyphrases
- prediction model
- mathematical model
- objective function
- cost function
- statistical model
- regression analysis
- theoretical analysis
- evaluation method
- sensitivity analysis
- modeling method
- probabilistic model
- clustering method
- high order
- recognition algorithm
- optimization method
- gaussian distribution
- network model
- energy function
- hybrid model
- evaluation model
- linear regression model
- closed form
- monte carlo simulation
- linear model
- predictive model
- similarity measure
- kalman filter
- test data
- classification method
- detection method
- parameter estimation
- input data
- significant improvement
- artificial neural networks
- neural network model
- prior information
- em algorithm
- reconstruction method
- computational complexity
- multiple linear regression