Synergistic Use of Compound Properties and Docking Scores in Neural Network Modeling of CYP2D6 Binding: Predicting Affinity and Conformational Sampling.
Peter S. BazeleySridevi PrithiviCraig A. StrubleRichard J. PovinelliDaniel S. SemPublished in: J. Chem. Inf. Model. (2006)
Keyphrases
- neural network
- hiv protease
- artificial neural networks
- coarse grained
- random sampling
- structural properties
- neural network model
- genetic algorithm
- learning vector quantization
- bp neural network
- monte carlo
- pairwise
- pattern recognition
- dna sequences
- network model
- protein protein interactions
- sample size
- sampling strategy