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Accelerating Polymer Discovery with Uncertainty-Guided PGCNN: Explainable AI for Predicting Properties and Mechanistic Insights.
Shuyu Wang
Hongxing Yue
Xiaoming Yuan
Published in:
J. Chem. Inf. Model. (2024)
Keyphrases
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artificial intelligence
data mining
machine learning
case based reasoning
structural properties
desirable properties
real time
data analysis
expert systems
uncertain data
discovery process
planning systems
ai systems