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Evaluation of Generalized Born Models for Large Scale Affinity Prediction of Cyclodextrin Host-Guest Complexes.
Haiyang Zhang
Chunhua Yin
Hai Yan
David van der Spoel
Published in:
J. Chem. Inf. Model. (2016)
Keyphrases
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probabilistic model
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multiple linear regression
genetic algorithm
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predictive modeling
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hybrid model
evaluation metrics
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computational models
statistical models
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complex systems
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