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"Ring Breaker": Neural Network Driven Synthesis Prediction of the Ring System Chemical Space
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posted on 2020-05-25, 11:21
authored by
Amol Thakkar
,
Esben Jannik Bjerrum
,
Jean-Louis Reymond
,
Nidhal Selmi
,
Ola Engkvist
data and models complementing our publication in the Journal of Medicinal Chemistry:
https://pubs.acs.org/doi/abs/10.1021/acs.jmedchem.9b01919
Funding
Amol Thakkar was supported financially by the European Union’s Horizon 2020 research and innovation program under the Marie Skłodowska-Curie grant agreement no. 676434, “Big Data in Chemistry” (“BIGCHEM,” http://bigchem.eu).
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Computational chemistry
Keywords
Reaction informatics
reaction datasets
models
reaction models
Computational Chemistry
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MIT
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