Prediction of Human Liver Microsome Clearance with Chirality-Focused Graph Neural Networks.
Chengtao PuLingxi GuYuxuan HuWeijie HanXiaohe XuHaichun LiuYadong ChenYanmin ZhangPublished in: J. Chem. Inf. Model. (2024)
Keyphrases
- neural network
- prediction accuracy
- pattern recognition
- artificial neural networks
- prediction model
- neural network ensemble
- protein interaction
- human subjects
- fuzzy logic
- graph representation
- genetic algorithm
- artificial neural networks to predict
- graph based algorithm
- prediction error
- back propagation
- weighted graph
- neural networks and support vector machines
- multi layer
- directed acyclic graph
- graph model
- spanning tree
- bipartite graph
- multilayer perceptron
- structured data
- connected components
- multi layer perceptron
- prediction algorithm
- human experts
- edge weights
- recurrent neural networks
- human behavior