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Quantum-mechanics-based molecular interaction fields for 3D-QSAR.
Ahmed El Kerdawy
Stefan Güssregen
Hans Matter
Matthias Hennemann
Timothy Clark
Published in:
J. Cheminformatics (2014)
Keyphrases
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quantum mechanics
drug discovery
drug design
human decision making
decision theory
particle swarm optimisation
decision making
case based reasoning
quantum computing
neural network
search algorithm