CASTELO: clustered atom subtypes aided lead optimization - a combined machine learning and molecular modeling method.
Leili ZhangGiacomo DomeniconiChih-Chieh YangSeung-gu KangRuhong ZhouGuojing CongPublished in: BMC Bioinform. (2021)
Keyphrases
- modeling method
- machine learning
- pattern recognition
- van der waals
- global optimization
- high speed railway
- hybrid genetic
- artificial intelligence
- fuzzy neural network
- optimization algorithm
- feature selection
- real time
- optimization method
- learning tasks
- support vector machine
- multi objective
- control system
- data analysis
- decision making
- data mining