MolNet: A Chemically Intuitive Graph Neural Network for Prediction of Molecular Properties
Author:
Affiliation:
1. Department of Chemistry KAIST Daejeon 34141 Korea
2. Department of Biology and Chemistry Changwon National University Changwon 51140 Korea
Publisher
Wiley
Subject
General Chemistry,Biochemistry,Organic Chemistry
Link
https://onlinelibrary.wiley.com/doi/pdf/10.1002/asia.202200269
Reference48 articles.
1. Analyzing Learned Molecular Representations for Property Prediction
2. A self-attention based message passing neural network for predicting molecular lipophilicity and aqueous solubility
3. Accurate Prediction of Aqueous Free Solvation Energies Using 3D Atomic Feature-Based Graph Neural Network with Transfer Learning
4. Graph Convolutional Neural Networks for Predicting Drug-Target Interactions
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