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AIScore Chemically Diverse Empirical Scoring Function Employing Quantum Chemical Binding Energies of Hydrogen-Bonded Complexes.
Stephan Raub
Andreas Steffen
Andreas Kämper
Christel M. Marian
Published in:
J. Chem. Inf. Model. (2008)
Keyphrases
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scoring function
virtual screening
scoring functions
structure learning
ranking functions
machine learning
graph cuts
energy function
probability distribution
higher order
document retrieval
drug discovery