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Generative AI in chemistry

Connecting molecular properties with plain language

AI tools such as ChatGPT can provide responses to queries on any topic, but can such large language models accurately ‘write’ molecules as output to our specification? Results now show that models trained on general text can be tweaked with small amounts of chemical data to predict molecular properties, or to design molecules based on a target feature.

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Fig. 1: Utilizing LLMs such as GPT-3 to answer chemical questions.

References

  1. Jablonka, K. M. et al. Nat. Mach. Intell. 6, 161–169 (2024).

    Article  Google Scholar 

  2. Brown, T. B. et al. In Advances in Neural Information Processing Systems 33 (NeurIPS 2020).

  3. Hocky, G. M. & White, A. D. Digital Discovery 1, 79–83 (2022).

    Article  PubMed  PubMed Central  Google Scholar 

  4. Lála, J. et al. Preprint at https://doi.org/10.48550/arXiv.2312.07559 (2023).

  5. Bran, A. M. et al. Preprint at https://doi.org/10.48550/arXiv.2304.05376 (2023).

  6. Boiko, D. A. et al. Nature 624, 570–578 (2023).

    Article  ADS  CAS  PubMed  PubMed Central  Google Scholar 

  7. White, A. D. et al. Digital Discovery 2, 368–376 (2023).

    Article  CAS  PubMed  PubMed Central  Google Scholar 

Download references

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Correspondence to Glen M. Hocky.

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Hocky, G.M. Connecting molecular properties with plain language. Nat Mach Intell 6, 249–250 (2024). https://doi.org/10.1038/s42256-024-00812-y

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