Binding Affinity Prediction with Property-Encoded Shape Distribution Signatures.
Sourav DasMichael P. KreinCurt M. BrenemanPublished in: J. Chem. Inf. Model. (2010)
Keyphrases
- prediction accuracy
- shape model
- density function
- prediction error
- prediction model
- pairwise
- extreme values
- shape representation
- shape descriptors
- neural network
- shape analysis
- shape recognition
- shape features
- prediction algorithm
- gaussian distribution
- topological properties
- hiv protease
- texture information
- spatial distribution
- vector field
- probability distribution
- bayesian networks
- similarity measure