Structure-Kinetics Relationships of Opioids from Metadynamics and Machine Learning Analysis.
Paween MahinthichaichanRuibin LiuQuynh N. VoChristopher R. EllisLidiya StavitskayaJana ShenPublished in: J. Chem. Inf. Model. (2023)
Keyphrases
- machine learning
- structural analysis
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- artificial neural networks
- explanation based learning
- causal models
- hierarchical structure
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