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In Silico Prediction of Buffer Solubility Based on Quantum-Mechanical and HQSAR- and Topology-Based Descriptors.
Andreas H. Göller
Matthias Hennemann
Jörg Keldenich
Timothy Clark
Published in:
J. Chem. Inf. Model. (2006)
Keyphrases
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prediction accuracy
computer simulation
shape descriptors
prediction model
prediction error
keypoints
prediction algorithm
quantum mechanics
information retrieval
image retrieval
texture descriptors
predictive model
mechanical design
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