De novo drug design as GPT language modeling: large chemistry models with supervised and reinforcement learning.
Gavin YePublished in: J. Comput. Aided Mol. Des. (2024)
Keyphrases
- language modeling
- language model
- reinforcement learning
- probabilistic model
- drug design
- information retrieval
- statistical language modeling
- relevance model
- n gram
- query expansion
- smoothing methods
- distance measure
- statistical model
- information retrieval systems
- similarity measure
- learning algorithm
- machine learning