Streamlining Computational Fragment-Based Drug Discovery through Evolutionary Optimization Informed by Ligand-Based Virtual Prescreening.
Rohan ChandraghatgiHai-Feng JiGail L. RosenBahrad A. SokhansanjPublished in: J. Chem. Inf. Model. (2024)
Keyphrases
- drug discovery
- evolutionary optimization
- virtual screening
- drug design
- multi objective
- pharmaceutical industry
- chemical compounds
- genetic algorithm
- early stage
- systems biology
- fuzzy modeling
- scientific data
- biological systems
- data mining
- discovery process
- databases
- computational models
- neural network
- computational model
- expert systems
- multi agent systems
- real world