publications

2023

1. 

   The promise and pitfalls of AI for molecular and materials synthesis

   Nicholas David ,  Wenhao Sun ,  and  Connor W. Coley

   Nature Computational Science, 2023

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   As artificial intelligence (AI) proliferates, synthetic chemistry stands to benefit from its progress. Despite hidden variables and ‘unknown unknowns’ in datasets that may impede the realization of a digital twin for the laboratory flask, there are many opportunities to leverage AI and large datasets to advance synthesis science.

   @article{david_promise_2023,
     url = {https://doi.org/10.1038/s43588-023-00446-x},
     doi = {10.1038/s43588-023-00446-x},
     title = {The promise and pitfalls of AI for molecular and materials synthesis},
     author = {David, Nicholas and Sun, Wenhao and Coley, Connor W.},
     journal = {Nature Computational Science},
     volume = {3},
     number = {5},
     pages = {362--364},
     year = {2023},
     date = {2023-05-01},
     publisher = {American Association of Physics Teachers},
     dimensions = {true}
   }