Login / Signup
Improved docking, screening and selectivity prediction for small molecule nuclear receptor modulators using conformational ensembles.
So-Jung Park
Irina Kufareva
Ruben Abagyan
Published in:
J. Comput. Aided Mol. Des. (2010)
Keyphrases
</>
drug discovery
hiv protease
prediction accuracy
neural network ensemble
prediction model
ensemble methods
improved algorithm
small number
united states
models built
image analysis
early stage
database systems
prediction error
ensemble learning
coarse grained
fine grained