A self-attention based message passing neural network for predicting molecular lipophilicity and aqueous solubility.
Bowen TangSkyler T. KramerMeijuan FangYingkun QiuZhen WuDong XuPublished in: J. Cheminformatics (2020)
Keyphrases
- message passing
- neural network
- belief propagation
- distributed systems
- probabilistic inference
- shared memory
- back propagation
- factor graphs
- approximate inference
- sum product algorithm
- inference in graphical models
- artificial neural networks
- distributed shared memory
- markov random field
- sum product
- neural network model
- graphical models
- loopy belief propagation
- matrix multiplication
- junction tree
- three dimensional
- em algorithm
- ldpc codes
- high quality