Use of large multiconformational databases with structure-based pharmacophore models for fast screening of commercial compound collections.
Alberto Del RioArménio Jorge Moura BarbosaFabiana CaporuscioPublished in: J. Cheminformatics (2011)
Keyphrases
- data model
- databases
- database systems
- object oriented
- database
- information retrieval
- neural network
- artificial neural networks
- image analysis
- learning algorithm
- data management
- statistical models
- computational models
- metadata
- feature selection
- model selection
- structural information
- autoregressive
- data collections
- drug discovery