Vascular endothelial growth factor receptor-2 (VEGFR-2) inhibitors: development and validation of predictive 3-D QSAR models through extensive ligand- and structure-based approaches.
Rino RagnoFlavio BallanteAdele PirolliRichard B. Wickersham IIIAlexandros PatsilinakosStéphanie HesseEnrico PerspicaceGilbert KirschPublished in: J. Comput. Aided Mol. Des. (2015)
Keyphrases
- drug discovery
- learning models
- real world
- case study
- learned models
- information processing
- structural properties
- model validation
- drug design
- machine learning approaches
- factor analysis
- classification models
- computational models
- statistical methods
- fine grained
- parameter estimation
- knowledge discovery
- probabilistic model
- artificial neural networks