De Novo Drug Design of Targeted Chemical Libraries Based on Artificial Intelligence and Pair-Based Multiobjective Optimization.
Domenico AlbergaNicola GambacortaDaniela TrisciuzziFulvio CiriacoNicola AmorosoOrazio NicolottiPublished in: J. Chem. Inf. Model. (2020)
Keyphrases
- multiobjective optimization
- drug design
- artificial intelligence
- drug discovery
- multi objective
- motif discovery
- min max
- swarm intelligence
- artificial immune system
- protein protein interactions
- quantitative structure activity
- protein structure prediction
- computational intelligence
- early stage
- multiple objectives
- machine learning
- optimization algorithm
- particle swarm optimization
- discovery process
- scientific data
- human genome
- natural language processing
- evolutionary algorithm
- genetic algorithm