AT
Publications
- Unassisted noise reduction of chemical reaction datasets
- Grand challenges on accelerating discovery in catalysis
- Unassisted Noise-Reduction of Chemical Reactions Data Sets
- Unassisted Noise-Reduction of Chemical Reactions Data Sets
- Enhancing diversity in language based models for single-step retrosynthesis
- The Role of AI in Driving the Sustainability of the Chemical Industry
- Quantum chemical data generation as fill-in for reliability enhancement of machine-learning reaction and retrosynthesis planning
- Unbiasing Retrosynthesis Language Models with Disconnection Prompts
- Standardizing chemical compounds with language models
- Fast Customization of Chemical Language Models to Out-of-Distribution Data Sets