A T5-based polymer language model pre-trained on 100 million hypothetical polymers predicts thermal, electronic, and solubility properties and generates polymers conditioned on a target glass-transition temperature, with one experimental validation.
Sahu,et al., Designing promising molecules for organic solar cells via machine learning as- sisted virtual screening.J
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An Encoder-Decoder Foundation Chemical Language Model for Generative Polymer Design
A T5-based polymer language model pre-trained on 100 million hypothetical polymers predicts thermal, electronic, and solubility properties and generates polymers conditioned on a target glass-transition temperature, with one experimental validation.