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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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