Quantum Mechanics and Machine Learning Synergies: Graph Attention Neural Networks to Predict Chemical Reactivity.
Mohammadamin TavakoliAaron MoodDavid Van VrankenPierre BaldiPublished in: J. Chem. Inf. Model. (2022)
Keyphrases
- quantum mechanics
- machine learning
- neural network
- pattern recognition
- human decision making
- particle swarm optimisation
- back propagation
- quantum probability
- quantum computing
- fuzzy logic
- artificial neural networks
- computational intelligence
- evolutionary computation
- bayesian networks
- genetic algorithm
- genetic programming
- genetic algorithm ga
- soft computing
- fuzzy systems
- decision theory
- support vector machine
- data mining