DeLA-DrugSelf: Empowering multi-objective de novo design through SELFIES molecular representation.
Domenico AlbergaGiuseppe LamannaGiovanni GrazianoPietro DelreMaria Cristina LomuscioNicola CorrieroAlessia LigrestiDritan SiliqiMichele SavianoMarialessandra ContinoAngela StefanachiGiuseppe Felice MangiatordiPublished in: Comput. Biol. Medicine (2024)
Keyphrases
- multi objective
- optimum design
- bayesian networks
- objective function
- learning environment
- evolutionary algorithm
- multi objective optimization
- optimization algorithm
- high throughput
- knowledge based systems
- design tools
- multiple objectives
- engineering design
- software architecture
- microarray
- design process
- genetic algorithm
- software engineering
- trade off
- information systems
- artificial intelligence