Use of chemical informatics, quantum chemistry modelling and artificial intelligence algorithms to predict molecular initiating events

2021 ◽  
Vol 350 ◽  
pp. S17-S18
Author(s):  
T.E.H. Allen ◽  
A.J. Wedlake ◽  
M.N. Grayson ◽  
A.M. Middleton ◽  
M. Folia ◽  
...  
2020 ◽  
Author(s):  
Umberto Raucci ◽  
alessio Valentini ◽  
Elisa Pieri ◽  
Hayley Weir ◽  
Stefan Seritan ◽  
...  

Over the last decade, artificial intelligence has been propelled forward by advances in machine learning algorithms and computational hardware, opening up myriad new avenues for scientific research. Nevertheless, virtual assistants and voice control have yet to be widely utilized in the natural sciences. Here, we present ChemVox, an interactive Amazon Alexa skill that uses speech recognition to perform quantum chemistry calculations. This new application interfaces Alexa with cloud computing and returns the results through a capable device. ChemVox paves the way to making computational chemistry routinely accessible to the wider community


Author(s):  
Umberto Raucci ◽  
alessio Valentini ◽  
Elisa Pieri ◽  
Hayley Weir ◽  
Stefan Seritan ◽  
...  

Over the last decade, artificial intelligence has been propelled forward by advances in machine learning algorithms and computational hardware, opening up myriad new avenues for scientific research. Nevertheless, virtual assistants and voice control have yet to be widely utilized in the natural sciences. Here, we present ChemVox, an interactive Amazon Alexa skill that uses speech recognition to perform quantum chemistry calculations. This new application interfaces Alexa with cloud computing and returns the results through a capable device. ChemVox paves the way to making computational chemistry routinely accessible to the wider community


Author(s):  
David L. Poole ◽  
Alan K. Mackworth

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