Supervised Self-Organizing Maps in Drug Discovery. 2. Improvements in Descriptor Selection and Model Validation.
Yun-De XiaoRebecca HarrisErsin BayramPeter Santago IIJeffrey D. SchmittPublished in: J. Chem. Inf. Model. (2006)
Keyphrases
- self organizing maps
- drug discovery
- model validation
- unsupervised learning
- neural network
- pharmaceutical industry
- virtual screening
- neural gas
- scientific data
- early stage
- input data
- supervised learning
- k means
- semi supervised
- databases
- learning algorithm
- object recognition
- biological systems
- systems biology
- discovery process
- machine learning
- data mining tools
- data mining
- association rules