Optimizing Drug Design by Merging Generative AI With Active Learning Frameworks.
Isaac Filella-MerceAlexis MolinaMarek OrzechowskiLucía DíazYang Ming ZhuJulia Vilalta MorLaura MaloAjay S. YekkiralaSoumya S. RayVictor GuallarPublished in: CoRR (2023)
Keyphrases
- drug design
- learning frameworks
- semi supervised learning
- drug discovery
- protein structure prediction
- kernel methods
- active learning
- semi supervised
- unlabeled data
- quantitative structure activity
- machine learning
- unsupervised learning
- natural language processing
- complex networks
- blended learning
- protein protein interactions