Deep Lead Optimization: Leveraging Generative AI for Structural Modification.
Odin ZhangHaitao LinHui ZhangHuifeng ZhaoYufei HuangYuansheng HuangDejun JiangChang-Yu HsiehPeichen PanTingjun HouPublished in: CoRR (2024)
Keyphrases
- artificial intelligence
- optimization problems
- optimization algorithm
- case based reasoning
- knowledge based systems
- global optimization
- expert systems
- intelligent systems
- generative model
- optimization method
- optimization process
- neural network
- deep learning
- optimization model
- discrete optimization
- lecture notes in artificial intelligence
- optimization methods
- structural information
- cost function
- case study
- genetic algorithm